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methyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}propan-2-yl)amine

methyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}propan-2-yl)amine

CAS: 1391053-74-9

Formula: C17H25N3O2S

SMILES: CNC(C)(C)C1=CNC2=CC=C(CS(=O)(=O)N3CCCC3)C=C12

IUPAC: methyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}propan-2-yl)amine

InChI: InChI=1S/C17H25N3O2S/c1-17(2,18-3)15-11-19-16-7-6-13(10-14(15)16)12-23(21,22)20-8-4-5-9-20/h6-7,10-11,18-19H,4-5,8-9,12H2,1-3H3

Composition: C (60.87%), H (7.51%), N (12.53%), O (9.54%), S (9.56%)

Molar Mass: 335.47

Atom Count: 48

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 335.166748231
Formal Charge 0
FSP3 0.53
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JTKLUEVZWJJXNS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.53
Topological Polar Surface Area 65.2
Polarizability 38.21
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1391053-74-9 $1,100.00-$9,072.00$1,100.00$3,300.00$9,072.00
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