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

C12H24N2O3S — CID 62526516

IUPACN-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-11-4-6-12(10-15,7-5-11)13-18(16,17)14-8-2-3-9-14/h11,13,15H,2-10H2,1H3
InChIKeyKYSUWXMBOMNSGQ-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.86
Rot. Bonds4

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

N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide (PubChem CID 62526516) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
PubChem CID62526516
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
SMILESCC1CCC(CO)(NS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-11-4-6-12(10-15,7-5-11)13-18(16,17)14-8-2-3-9-14/h11,13,15H,2-10H2,1H3
InChIKeyKYSUWXMBOMNSGQ-UHFFFAOYSA-N
XLogP0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
CID 62526694
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
4-methyl-1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61123275
1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide
CID 64987572
N-[1-(hydroxymethyl)cyclohexyl]morpholine-4-sulfonamide
CID 62520072
1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43163334
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290378
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
CID 115455401
ethyl N-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 114464188

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide (CID 62526516) is N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide is CC1CCC(CO)(NS(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide?
The InChIKey is KYSUWXMBOMNSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-11-4-6-12(10-15,7-5-11)13-18(16,17)14-8-2-3-9-14/h11,13,15H,2-10H2,1H3.
What are the key properties of N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide?
N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.86, 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]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 62526516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).