N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide

C14H28N2O3S — CID 62526694

IUPACN-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H28N2O3S/c1-13-6-8-14(12-17,9-7-13)15-20(18,19)16-10-4-2-3-5-11-16/h13,15,17H,2-12H2,1H3
InChIKeyJDZDOBBYNFPVOJ-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.64
Rot. Bonds4

About N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide

N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide (PubChem CID 62526694) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
PubChem CID62526694
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H28N2O3S/c1-13-6-8-14(12-17,9-7-13)15-20(18,19)16-10-4-2-3-5-11-16/h13,15,17H,2-12H2,1H3
InChIKeyJDZDOBBYNFPVOJ-UHFFFAOYSA-N
XLogP1.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 62526516
N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 28940696
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 62525311
N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide
CID 62526005
N-[1-(hydroxymethyl)cyclobutyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 115903015
N-[1-(hydroxymethyl)cyclohexyl]morpholine-4-sulfonamide
CID 62520072
4-methyl-1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61123275
1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide
CID 64987572
1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43163334
ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 114464188
[1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol
CID 81419348
methyl 1-[(4-methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 43053414

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide (CID 62526694) is N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide is CC1CCC(CO)(NS(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide?
The InChIKey is JDZDOBBYNFPVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-13-6-8-14(12-17,9-7-13)15-20(18,19)16-10-4-2-3-5-11-16/h13,15,17H,2-12H2,1H3.
What are the key properties of N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide?
N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide is sourced from PubChem (CID 62526694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).