3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid

C10H19NO4S — CID 43317819

IUPAC3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid
SMILESCC1CCCC(NS(=O)(=O)CCC(=O)O)C1
InChIInChI=1S/C10H19NO4S/c1-8-3-2-4-9(7-8)11-16(14,15)6-5-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyAPBNOXJBGLNHOF-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.96
Rot. Bonds5

About 3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid

3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid (PubChem CID 43317819) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid
PubChem CID43317819
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid
SMILESCC1CCCC(NS(=O)(=O)CCC(=O)O)C1
InChIInChI=1S/C10H19NO4S/c1-8-3-2-4-9(7-8)11-16(14,15)6-5-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyAPBNOXJBGLNHOF-UHFFFAOYSA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-methylcyclohexyl)sulfamoyl]propanoic 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

3-[2-(propan-2-ylamino)ethylsulfonylamino]cyclohexane-1-carboxylic acid
CID 169177435
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid
CID 43701247
(3-methylcyclohexyl)carbamic acid
CID 67410451
3-[tert-butyl-[(3-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 61198387
4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid
CID 61211429
3-(cyclobutylmethylsulfamoyl)propanoic acid
CID 43298604
N-(3-methylcyclohexyl)ethenesulfonamide
CID 123850163
2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
CID 43445727
3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide
CID 94800013
3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920379
3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
CID 63258358

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid (CID 43317819) is 3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid is CC1CCCC(NS(=O)(=O)CCC(=O)O)C1.
What is the InChIKey of 3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid?
The InChIKey is APBNOXJBGLNHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8-3-2-4-9(7-8)11-16(14,15)6-5-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid?
3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclohexyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43317819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).