(3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid

C14H25NO4S — CID 124562741

IUPAC(3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid
SMILESCS(=O)(=O)N1C[C@H](CC2CCCCC2)C[C@H](C(=O)O)C1
InChIInChI=1S/C14H25NO4S/c1-20(18,19)15-9-12(8-13(10-15)14(16)17)7-11-5-3-2-4-6-11/h11-13H,2-10H2,1H3,(H,16,17)/t12-,13+/m1/s1
InChIKeyGVQSASAFTOTOGP-OLZOCXBDSA-N
MW303.42 g/mol
LogP1.94
Rot. Bonds4

About (3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid

(3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid (PubChem CID 124562741) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is (3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid
PubChem CID124562741
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name(3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid
SMILESCS(=O)(=O)N1C[C@H](CC2CCCCC2)C[C@H](C(=O)O)C1
InChIInChI=1S/C14H25NO4S/c1-20(18,19)15-9-12(8-13(10-15)14(16)17)7-11-5-3-2-4-6-11/h11-13H,2-10H2,1H3,(H,16,17)/t12-,13+/m1/s1
InChIKeyGVQSASAFTOTOGP-OLZOCXBDSA-N
XLogP1.94
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-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

1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidine-3-carboxylic acid
CID 79612897
4-(cyclohexylmethyl)pyrrolidine-1,2-dicarboxylic acid
CID 90802821
1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068407
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 43355832
(3S)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120769
3-methylsulfonyl-3-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 137394146
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid
CID 83998672
1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43171029
1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068595
1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid
CID 55150630
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone
CID 79610693

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid (CID 124562741) is (3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid is CS(=O)(=O)N1C[C@H](CC2CCCCC2)C[C@H](C(=O)O)C1.
What is the InChIKey of (3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid?
The InChIKey is GVQSASAFTOTOGP-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-20(18,19)15-9-12(8-13(10-15)14(16)17)7-11-5-3-2-4-6-11/h11-13H,2-10H2,1H3,(H,16,17)/t12-,13+/m1/s1.
What are the key properties of (3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid?
(3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid has a molecular weight of 303.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(cyclohexylmethyl)-1-methylsulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 124562741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).