4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid

C9H16N2O6S — CID 114462144

IUPAC4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid
SMILESCOC(=O)NS(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C9H16N2O6S/c1-17-9(14)11-18(15,16)10-7-4-2-6(3-5-7)8(12)13/h6-7,10H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyJMVVVXZYVWRWCZ-UHFFFAOYSA-N
MW280.30 g/mol
LogP-0.18
Rot. Bonds4

About 4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid

4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 114462144) has the molecular formula C9H16N2O6S and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid
PubChem CID114462144
Molecular FormulaC9H16N2O6S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid
SMILESCOC(=O)NS(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C9H16N2O6S/c1-17-9(14)11-18(15,16)10-7-4-2-6(3-5-7)8(12)13/h6-7,10H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyJMVVVXZYVWRWCZ-UHFFFAOYSA-N
XLogP-0.18
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic 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

4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 60808887
4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid
CID 166513762
methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate
CID 114811643
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61457089
methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate
CID 106444350
1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
CID 114462717
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60807922
benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate
CID 86617683
3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032739
methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate
CID 114463415
methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
CID 114631654

Frequently Asked Questions

What is the IUPAC name of 4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid (CID 114462144) is 4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid is COC(=O)NS(=O)(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is JMVVVXZYVWRWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6S/c1-17-9(14)11-18(15,16)10-7-4-2-6(3-5-7)8(12)13/h6-7,10H,2-5H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid?
4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114462144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).