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(1S,4S)-2-methanesulfonyl-2,5-diazabicyclo[2.2.1]heptane

(1S,4S)-2-methanesulfonyl-2,5-diazabicyclo[2.2.1]heptane

CAS: 944068-43-3

Formula: C6H12N2O2S

SMILES: CS(=O)(=O)N1C[C@@H]2C[C@H]1CN2

IUPAC: (1S,4S)-2-methanesulfonyl-2,5-diazabicyclo[2.2.1]heptane

InChI: InChI=1S/C6H12N2O2S/c1-11(9,10)8-4-5-2-6(8)3-7-5/h5-7H,2-4H2,1H3/t5-,6+/m1/s1

Composition: C (40.89%), H (6.86%), N (15.90%), O (18.16%), S (18.19%)

Molar Mass: 176.23

Atom Count: 23

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 176.061948808
Formal Charge 0
FSP3 1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KQFMRBHXRDGEAH-WDSKDSINSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.85
Topological Polar Surface Area 49.41
Polarizability 17.22
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 944068-43-3 $442.26-$754.11$442.26$754.11
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