4-(cyclohexylamino)butane-1-sulfonic acid

4-(cyclohexylamino)butane-1-sulfonic acid

CAS: 161308-34-5

Formula: C10H21NO3S

SMILES: OS(=O)(=O)CCCCNC1CCCCC1

IUPAC: 4-(cyclohexylamino)butane-1-sulfonic acid

InChI: InChI=1S/C10H21NO3S/c12-15(13,14)9-5-4-8-11-10-6-2-1-3-7-10/h10-11H,1-9H2,(H,12,13,14)

Composition: C (51.04%), H (8.99%), N (5.95%), O (20.39%), S (13.62%)

Molar Mass: 235.34

Atom Count: 36

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	235.124214714
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XNPKNHHFCKSMRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.9
Topological Polar Surface Area	66.4
Polarizability	24.59
Ring Count	1
Rotatable Bond Count	6

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