2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole

C15H25N3O2S — CID 164639057

IUPAC2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole
SMILESCn1ccnc1[C@H]1CCN(S(=O)(=O)CCC2CCCC2)C1
InChIInChI=1S/C15H25N3O2S/c1-17-10-8-16-15(17)14-6-9-18(12-14)21(19,20)11-7-13-4-2-3-5-13/h8,10,13-14H,2-7,9,11-12H2,1H3/t14-/m0/s1
InChIKeyMULDBCBXWTZEIZ-AWEZNQCLSA-N
MW311.45 g/mol
LogP2.12
Rot. Bonds5

About 2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole

2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole (PubChem CID 164639057) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole
PubChem CID164639057
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole
SMILESCn1ccnc1[C@H]1CCN(S(=O)(=O)CCC2CCCC2)C1
InChIInChI=1S/C15H25N3O2S/c1-17-10-8-16-15(17)14-6-9-18(12-14)21(19,20)11-7-13-4-2-3-5-13/h8,10,13-14H,2-7,9,11-12H2,1H3/t14-/m0/s1
InChIKeyMULDBCBXWTZEIZ-AWEZNQCLSA-N
XLogP2.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 128587614
1-[2-[2-Methyl-3-(trifluoromethyl)pyrrolidin-1-yl]sulfonylethyl]imidazole
CID 132364452
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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole?
The IUPAC name of 2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole (CID 164639057) is 2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole.
What is the SMILES notation for 2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole?
The canonical SMILES for 2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole is Cn1ccnc1[C@H]1CCN(S(=O)(=O)CCC2CCCC2)C1.
What is the InChIKey of 2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole?
The InChIKey is MULDBCBXWTZEIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-17-10-8-16-15(17)14-6-9-18(12-14)21(19,20)11-7-13-4-2-3-5-13/h8,10,13-14H,2-7,9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole?
2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole has a molecular weight of 311.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(2-cyclopentylethylsulfonyl)pyrrolidin-3-yl]-1-methylimidazole is sourced from PubChem (CID 164639057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).