(2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid

C14H25NO4S — CID 151426846

IUPAC(2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1S(=O)(=O)CCC1CCCCC1
InChIInChI=1S/C14H25NO4S/c16-14(17)13-8-4-5-10-15(13)20(18,19)11-9-12-6-2-1-3-7-12/h12-13H,1-11H2,(H,16,17)/t13-/m0/s1
InChIKeyPBRSKBZTYNILMZ-ZDUSSCGKSA-N
MW303.42 g/mol
LogP2.23
Rot. Bonds5

About (2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid

(2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid (PubChem CID 151426846) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is (2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid
PubChem CID151426846
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name(2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1S(=O)(=O)CCC1CCCCC1
InChIInChI=1S/C14H25NO4S/c16-14(17)13-8-4-5-10-15(13)20(18,19)11-9-12-6-2-1-3-7-12/h12-13H,1-11H2,(H,16,17)/t13-/m0/s1
InChIKeyPBRSKBZTYNILMZ-ZDUSSCGKSA-N
XLogP2.23
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid (CID 151426846) is (2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1S(=O)(=O)CCC1CCCCC1.
What is the InChIKey of (2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid?
The InChIKey is PBRSKBZTYNILMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25NO4S/c16-14(17)13-8-4-5-10-15(13)20(18,19)11-9-12-6-2-1-3-7-12/h12-13H,1-11H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid?
(2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid has a molecular weight of 303.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-cyclohexylethylsulfonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 151426846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).