1-methanesulfonyl-1,4-diazepane

1-methanesulfonyl-1,4-diazepane

CAS: 550369-26-1

Formula: C6H14N2O2S

SMILES: CS(=O)(=O)N1CCCNCC1

IUPAC: 1-methanesulfonyl-1,4-diazepane

InChI: InChI=1S/C6H14N2O2S/c1-11(9,10)8-5-2-3-7-4-6-8/h7H,2-6H2,1H3

Composition: C (40.43%), H (7.92%), N (15.72%), O (17.95%), S (17.99%)

Molar Mass: 178.25

Atom Count: 25

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	178.077598873
Formal Charge	0
FSP3	1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HWXMTJPGLBLECG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.48
Topological Polar Surface Area	49.41
Polarizability	17.93
Ring Count	1
Rotatable Bond Count	0

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