4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid

C11H21NO4S — CID 43163311

IUPAC4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C11H21NO4S/c1-3-8-17(15,16)12-11(10(13)14)6-4-9(2)5-7-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyMXDAPLSJMPVXJS-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.35
Rot. Bonds5

About 4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid

4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 43163311) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID43163311
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C11H21NO4S/c1-3-8-17(15,16)12-11(10(13)14)6-4-9(2)5-7-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyMXDAPLSJMPVXJS-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-(propylsulfonylamino)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-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63855858
1-(cyclopropylmethylsulfonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 64987307
1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 61355189
1-(ethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122472
1-(butanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43163089
1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81163920
1-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61454521
1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 82237604
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 63245506
N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide
CID 62526005
1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55174686
1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61001659

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid (CID 43163311) is 4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid is CCCS(=O)(=O)NC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is MXDAPLSJMPVXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-8-17(15,16)12-11(10(13)14)6-4-9(2)5-7-11/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid?
4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 263.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43163311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).