1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate

C13H22NO4S- — CID 23000734

IUPAC1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate
SMILESO=C([O-])C1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H23NO4S/c15-13(16)12-8-4-5-9-14(12)19(17,18)10-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,16)/p-1
InChIKeyVDECHYJQFFKBRA-UHFFFAOYSA-M
MW288.39 g/mol
LogP0.50
Rot. Bonds4

About 1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate

1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate (PubChem CID 23000734) has the molecular formula C13H22NO4S- and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate
PubChem CID23000734
Molecular FormulaC13H22NO4S-
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC Name1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate
SMILESO=C([O-])C1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H23NO4S/c15-13(16)12-8-4-5-9-14(12)19(17,18)10-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,16)/p-1
InChIKeyVDECHYJQFFKBRA-UHFFFAOYSA-M
XLogP0.50
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate 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-Cyclohexyl-2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)propanoic acid
CID 3561130
methyl (2S,3R)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate
CID 156599520
3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carboxylic acid
CID 107070101
4-Methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carboxylic acid
CID 114422103
4-Ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carboxylic acid
CID 114427428
1-[(2,2-Difluorocyclohexyl)methylsulfonyl]piperidine-2-carboxylic acid
CID 121977814
1-[4-(Trifluoromethyl)cyclohexyl]sulfonylpiperidine-2-carboxylic acid
CID 122070168
1-Cyclohexylsulfonylpiperidine-2-carboxylic acid
CID 9795558
methyl (2S)-1-[(cyclohexylmethyl)sulfonyl]-2-piperidinecarboxylate
CID 57106621
1-(3-Methylbutylsulfonyl)piperidine-2-carboxylic acid
CID 63856939
(2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid
CID 66263261
(2S)-1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylic acid
CID 66263681

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate?
The IUPAC name of 1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate (CID 23000734) is 1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate.
What is the SMILES notation for 1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate?
The canonical SMILES for 1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate is O=C([O-])C1CCCCN1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate?
The InChIKey is VDECHYJQFFKBRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H23NO4S/c15-13(16)12-8-4-5-9-14(12)19(17,18)10-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,16)/p-1.
What are the key properties of 1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate?
1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylsulfonyl)piperidine-2-carboxylate is sourced from PubChem (CID 23000734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).