3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide

C16H24N2O2S — CID 64623774

IUPAC3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C16H24N2O2S/c17-21(19,20)16-6-1-3-12(9-16)11-18-15-5-2-4-14(10-15)13-7-8-13/h1,3,6,9,13-15,18H,2,4-5,7-8,10-11H2,(H2,17,19,20)
InChIKeyWJTCWPJYGVOYEE-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.39
Rot. Bonds5

About 3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide

3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide (PubChem CID 64623774) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide
PubChem CID64623774
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C16H24N2O2S/c17-21(19,20)16-6-1-3-12(9-16)11-18-15-5-2-4-14(10-15)13-7-8-13/h1,3,6,9,13-15,18H,2,4-5,7-8,10-11H2,(H2,17,19,20)
InChIKeyWJTCWPJYGVOYEE-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide
CID 64752597
3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64623988
3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide
CID 62982169
N-[(3-sulfamoylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119293676
3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide
CID 82727555
tert-butyl 3-[(3-sulfamoylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 113268866
1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
CID 79458112
3-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide
CID 23133731
3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
N-methyl-3-[(thian-3-ylamino)methyl]benzenesulfonamide
CID 86787431
N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide (CID 64623774) is 3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide is NS(=O)(=O)c1cccc(CNC2CCCC(C3CC3)C2)c1.
What is the InChIKey of 3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide?
The InChIKey is WJTCWPJYGVOYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c17-21(19,20)16-6-1-3-12(9-16)11-18-15-5-2-4-14(10-15)13-7-8-13/h1,3,6,9,13-15,18H,2,4-5,7-8,10-11H2,(H2,17,19,20).
What are the key properties of 3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide?
3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 64623774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).