(2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid

C12H21NO4S — CID 66263261

IUPAC(2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H21NO4S/c14-12(15)11-8-4-5-9-13(11)18(16,17)10-6-2-1-3-7-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1
InChIKeyAUGWRFRIZQGPBN-NSHDSACASA-N
MW275.37 g/mol
LogP1.59
Rot. Bonds3

About (2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid

(2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid (PubChem CID 66263261) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is (2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid
PubChem CID66263261
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name(2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H21NO4S/c14-12(15)11-8-4-5-9-13(11)18(16,17)10-6-2-1-3-7-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1
InChIKeyAUGWRFRIZQGPBN-NSHDSACASA-N
XLogP1.59
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid (CID 66263261) is (2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1S(=O)(=O)C1CCCCC1.
What is the InChIKey of (2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid?
The InChIKey is AUGWRFRIZQGPBN-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NO4S/c14-12(15)11-8-4-5-9-13(11)18(16,17)10-6-2-1-3-7-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid?
(2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexylsulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 66263261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).