(2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine

C15H25N3O2S — CID 164635406

IUPAC(2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine
SMILESO=S(=O)(CCC1CCCC1)N1CCCC[C@H]1c1ncc[nH]1
InChIInChI=1S/C15H25N3O2S/c19-21(20,12-8-13-5-1-2-6-13)18-11-4-3-7-14(18)15-16-9-10-17-15/h9-10,13-14H,1-8,11-12H2,(H,16,17)/t14-/m0/s1
InChIKeyLWQHDESOMGPMMY-AWEZNQCLSA-N
MW311.45 g/mol
LogP2.85
Rot. Bonds5

About (2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine

(2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine (PubChem CID 164635406) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is (2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name(2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine
PubChem CID164635406
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name(2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine
SMILESO=S(=O)(CCC1CCCC1)N1CCCC[C@H]1c1ncc[nH]1
InChIInChI=1S/C15H25N3O2S/c19-21(20,12-8-13-5-1-2-6-13)18-11-4-3-7-14(18)15-16-9-10-17-15/h9-10,13-14H,1-8,11-12H2,(H,16,17)/t14-/m0/s1
InChIKeyLWQHDESOMGPMMY-AWEZNQCLSA-N
XLogP2.85
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine?
The IUPAC name of (2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine (CID 164635406) is (2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for (2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for (2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine is O=S(=O)(CCC1CCCC1)N1CCCC[C@H]1c1ncc[nH]1.
What is the InChIKey of (2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine?
The InChIKey is LWQHDESOMGPMMY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O2S/c19-21(20,12-8-13-5-1-2-6-13)18-11-4-3-7-14(18)15-16-9-10-17-15/h9-10,13-14H,1-8,11-12H2,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine?
(2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine has a molecular weight of 311.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-cyclopentylethylsulfonyl)-2-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 164635406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).