[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone

C15H24N4O3S — CID 95606419

IUPAC[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1
InChIInChI=1S/C15H24N4O3S/c1-12-16-7-10-18(12)13-5-3-8-17(11-13)15(20)14-6-4-9-19(14)23(2,21)22/h7,10,13-14H,3-6,8-9,11H2,1-2H3/t13-,14+/m0/s1
InChIKeyZFWVDAPOHPKMSH-UONOGXRCSA-N
MW340.45 g/mol
LogP0.78
Rot. Bonds3

About [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone

[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone (PubChem CID 95606419) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone
PubChem CID95606419
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1
InChIInChI=1S/C15H24N4O3S/c1-12-16-7-10-18(12)13-5-3-8-17(11-13)15(20)14-6-4-9-19(14)23(2,21)22/h7,10,13-14H,3-6,8-9,11H2,1-2H3/t13-,14+/m0/s1
InChIKeyZFWVDAPOHPKMSH-UONOGXRCSA-N
XLogP0.78
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4R)-4-[(3R)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 95606454
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95334679
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone
CID 100856759
(4S)-1-cyclopentyl-4-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95336680
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 95332115
(2R)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylpropan-1-one
CID 95339999
(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326513
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95336246
[(2S)-1-methylsulfonylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840617
2-cyclopentyloxy-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95329474
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326507

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone?
The IUPAC name of [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone (CID 95606419) is [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone.
What is the SMILES notation for [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone?
The canonical SMILES for [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone is Cc1nccn1[C@H]1CCCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1.
What is the InChIKey of [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone?
The InChIKey is ZFWVDAPOHPKMSH-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-12-16-7-10-18(12)13-5-3-8-17(11-13)15(20)14-6-4-9-19(14)23(2,21)22/h7,10,13-14H,3-6,8-9,11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone?
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 95606419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).