N-(4-methylcyclohexyl)azepane-1-sulfonamide

C13H26N2O2S — CID 18134642

IUPACN-(4-methylcyclohexyl)azepane-1-sulfonamide
SMILESCC1CCC(NS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-12-6-8-13(9-7-12)14-18(16,17)15-10-4-2-3-5-11-15/h12-14H,2-11H2,1H3
InChIKeyHHBXAFRQQGBLRR-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.28
Rot. Bonds3

About N-(4-methylcyclohexyl)azepane-1-sulfonamide

N-(4-methylcyclohexyl)azepane-1-sulfonamide (PubChem CID 18134642) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)azepane-1-sulfonamide
PubChem CID18134642
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(4-methylcyclohexyl)azepane-1-sulfonamide
SMILESCC1CCC(NS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-12-6-8-13(9-7-12)14-18(16,17)15-10-4-2-3-5-11-15/h12-14H,2-11H2,1H3
InChIKeyHHBXAFRQQGBLRR-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 42894521
N-(3-cyclohexylpropyl)azepane-1-sulfonamide
CID 71896285
4-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
CID 17946855
1-Amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 22000435
1-(Dimethylsulfamoylamino)-4-methylcyclohexane
CID 23381127
[(2R)-2-(dimethylsulfamoylamino)propyl]cyclohexane
CID 58923317
N-[4-[(propan-2-ylamino)methyl]cyclohexyl]methanesulfonamide
CID 59868028
4-methyl-N-(methylsulfamoyl)cyclohexan-1-amine
CID 89949817
N-[[4-(propan-2-ylamino)cyclohexyl]methyl]methanesulfonamide
CID 121357674
N-[[4-(ethylamino)cyclohexyl]methyl]methanesulfonamide
CID 121359008
(Diethylsulfamoylamino)methylcyclohexane
CID 144230977
[Propan-2-yl(sulfamoyl)amino]methylcyclohexane
CID 167048993

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)azepane-1-sulfonamide?
The IUPAC name of N-(4-methylcyclohexyl)azepane-1-sulfonamide (CID 18134642) is N-(4-methylcyclohexyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(4-methylcyclohexyl)azepane-1-sulfonamide?
The canonical SMILES for N-(4-methylcyclohexyl)azepane-1-sulfonamide is CC1CCC(NS(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)azepane-1-sulfonamide?
The InChIKey is HHBXAFRQQGBLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12-6-8-13(9-7-12)14-18(16,17)15-10-4-2-3-5-11-15/h12-14H,2-11H2,1H3.
What are the key properties of N-(4-methylcyclohexyl)azepane-1-sulfonamide?
N-(4-methylcyclohexyl)azepane-1-sulfonamide has a molecular weight of 274.43 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)azepane-1-sulfonamide is sourced from PubChem (CID 18134642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).