4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid

C11H21NO5S — CID 62552006

IUPAC4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NC1(CO)CCCCC1
InChIInChI=1S/C11H21NO5S/c13-9-11(6-2-1-3-7-11)12-18(16,17)8-4-5-10(14)15/h12-13H,1-9H2,(H,14,15)
InChIKeyPHSMRILMFNLEOF-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.47
Rot. Bonds7

About 4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid

4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid (PubChem CID 62552006) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid
PubChem CID62552006
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NC1(CO)CCCCC1
InChIInChI=1S/C11H21NO5S/c13-9-11(6-2-1-3-7-11)12-18(16,17)8-4-5-10(14)15/h12-13H,1-9H2,(H,14,15)
InChIKeyPHSMRILMFNLEOF-UHFFFAOYSA-N
XLogP0.47
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide
CID 115903061
methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate
CID 115902866
N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 62520965
N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide
CID 63857521
N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521346
N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide
CID 62519905
4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid
CID 114696709
N-[1-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 62520336
methyl N-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]carbamate
CID 114464182
1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide
CID 62520783
4-(1-cyclohexylethylsulfamoyl)butanoic acid
CID 62406651
3-chloro-N-[1-(hydroxymethyl)cyclohexyl]-2-methylpropane-1-sulfonamide
CID 79585971

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid (CID 62552006) is 4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)NC1(CO)CCCCC1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid?
The InChIKey is PHSMRILMFNLEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c13-9-11(6-2-1-3-7-11)12-18(16,17)8-4-5-10(14)15/h12-13H,1-9H2,(H,14,15).
What are the key properties of 4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid?
4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid has a molecular weight of 279.36 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 62552006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).