(3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine

C15H25N3O2S — CID 95203842

IUPAC(3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC[C@H](Cn2ccnc2C2CCCC2)C1
InChIInChI=1S/C15H25N3O2S/c1-21(19,20)18-9-4-5-13(12-18)11-17-10-8-16-15(17)14-6-2-3-7-14/h8,10,13-14H,2-7,9,11-12H2,1H3/t13-/m1/s1
InChIKeyFEFOPPNHQCLBNV-CYBMUJFWSA-N
MW311.45 g/mol
LogP2.21
Rot. Bonds4

About (3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine

(3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine (PubChem CID 95203842) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is (3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name(3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine
PubChem CID95203842
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name(3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC[C@H](Cn2ccnc2C2CCCC2)C1
InChIInChI=1S/C15H25N3O2S/c1-21(19,20)18-9-4-5-13(12-18)11-17-10-8-16-15(17)14-6-2-3-7-14/h8,10,13-14H,2-7,9,11-12H2,1H3/t13-/m1/s1
InChIKeyFEFOPPNHQCLBNV-CYBMUJFWSA-N
XLogP2.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine?
The IUPAC name of (3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine (CID 95203842) is (3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine.
What is the SMILES notation for (3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine?
The canonical SMILES for (3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC[C@H](Cn2ccnc2C2CCCC2)C1.
What is the InChIKey of (3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine?
The InChIKey is FEFOPPNHQCLBNV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-21(19,20)18-9-4-5-13(12-18)11-17-10-8-16-15(17)14-6-2-3-7-14/h8,10,13-14H,2-7,9,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine?
(3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine has a molecular weight of 311.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 95203842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).