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(3-{3'-methanesulfonyl-4',5'-dimethyl-[1,2'-bipyrrol]-1'-yl}propyl)dimethylamine

(3-{3'-methanesulfonyl-4',5'-dimethyl-[1,2'-bipyrrol]-1'-yl}propyl)dimethylamine

CAS: 866149-72-6

Formula: C16H25N3O2S

SMILES: CN(C)CCCN1C(C)=C(C)C(=C1N1C=CC=C1)S(C)(=O)=O

IUPAC: (3-{3'-methanesulfonyl-4',5'-dimethyl-1'H-[1,2'-bipyrrol]-1'-yl}propyl)dimethylamine

InChI: InChI=1S/C16H25N3O2S/c1-13-14(2)19(12-8-9-17(3)4)16(15(13)22(5,20)21)18-10-6-7-11-18/h6-7,10-11H,8-9,12H2,1-5H3

Composition: C (59.41%), H (7.79%), N (12.99%), O (9.89%), S (9.91%)

Molar Mass: 323.46

Atom Count: 47

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 323.166748231
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KRMMCKZHBXILNU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.8
Topological Polar Surface Area 47.24
Polarizability 35.5
Ring Count 2
Rotatable Bond Count 6

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