[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone

C16H22N2O3S — CID 7221204

IUPAC[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C16H22N2O3S/c19-16(17-11-6-7-12-17)15-10-4-5-13-18(15)22(20,21)14-8-2-1-3-9-14/h1-3,8-9,15H,4-7,10-13H2/t15-/m1/s1
InChIKeyPEYCNQWEJDIIIN-OAHLLOKOSA-N
MW322.43 g/mol
LogP1.85
Rot. Bonds3

About [(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone

[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 7221204) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is [(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID7221204
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C16H22N2O3S/c19-16(17-11-6-7-12-17)15-10-4-5-13-18(15)22(20,21)14-8-2-1-3-9-14/h1-3,8-9,15H,4-7,10-13H2/t15-/m1/s1
InChIKeyPEYCNQWEJDIIIN-OAHLLOKOSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone 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

[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
CID 119373052
[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 1190427
azepan-1-yl-[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanone
CID 24604648
1-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251462
[3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone
CID 119592933
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 43060932
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 55447550
[1-(benzenesulfonyl)pyrrolidin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42702670
1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine
CID 165347800
[1-(benzenesulfonyl)piperidin-2-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 43019033
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 46698817

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone (CID 7221204) is [(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone is O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of [(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PEYCNQWEJDIIIN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16(17-11-6-7-12-17)15-10-4-5-13-18(15)22(20,21)14-8-2-1-3-9-14/h1-3,8-9,15H,4-7,10-13H2/t15-/m1/s1.
What are the key properties of [(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 322.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 7221204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).