4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid

C13H25NO4S — CID 63855858

IUPAC4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)CCS(=O)(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C13H25NO4S/c1-10(2)6-9-19(17,18)14-13(12(15)16)7-4-11(3)5-8-13/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyZPFVPJMVGFXFPA-UHFFFAOYSA-N
MW291.41 g/mol
LogP1.99
Rot. Bonds6

About 4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid

4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 63855858) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID63855858
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC Name4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)CCS(=O)(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C13H25NO4S/c1-10(2)6-9-19(17,18)14-13(12(15)16)7-4-11(3)5-8-13/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyZPFVPJMVGFXFPA-UHFFFAOYSA-N
XLogP1.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-(3-methylbutylsulfonylamino)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-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid
CID 43163311
1-(cyclopropylmethylsulfonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 64987307
4-methyl-1-(3-methylbutanoylamino)cyclohexane-1-carboxylic acid
CID 43163143
1-(3-methylbutylsulfonylamino)cyclohexane-1-carbothioamide
CID 63856598
N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide
CID 63857521
1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 61355189
1-(ethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122472
3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid
CID 64516179
2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816256
1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81163920
4-methyl-1-[[methyl(propan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61181106
4-methyl-1-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 79202744

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid (CID 63855858) is 4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid is CC(C)CCS(=O)(=O)NC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is ZPFVPJMVGFXFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-10(2)6-9-19(17,18)14-13(12(15)16)7-4-11(3)5-8-13/h10-11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid?
4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 291.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63855858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).