(3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine

C15H25N3O2S — CID 124991094

IUPAC(3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
SMILESCc1cnc([C@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)[nH]1
InChIInChI=1S/C15H25N3O2S/c1-12-10-16-15(17-12)13-6-5-9-18(11-13)21(19,20)14-7-3-2-4-8-14/h10,13-14H,2-9,11H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyPGPCAZAHOGMYRL-ZDUSSCGKSA-N
MW311.45 g/mol
LogP2.56
Rot. Bonds3

About (3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine

(3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine (PubChem CID 124991094) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is (3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
PubChem CID124991094
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name(3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
SMILESCc1cnc([C@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)[nH]1
InChIInChI=1S/C15H25N3O2S/c1-12-10-16-15(17-12)13-6-5-9-18(11-13)21(19,20)14-7-3-2-4-8-14/h10,13-14H,2-9,11H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyPGPCAZAHOGMYRL-ZDUSSCGKSA-N
XLogP2.56
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine?
The IUPAC name of (3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine (CID 124991094) is (3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine.
What is the SMILES notation for (3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine?
The canonical SMILES for (3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine is Cc1cnc([C@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)[nH]1.
What is the InChIKey of (3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine?
The InChIKey is PGPCAZAHOGMYRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-10-16-15(17-12)13-6-5-9-18(11-13)21(19,20)14-7-3-2-4-8-14/h10,13-14H,2-9,11H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine?
(3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine has a molecular weight of 311.45 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexylsulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 124991094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).