[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

C17H24N2O3S — CID 8502448

IUPAC[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H24N2O3S/c1-14-7-2-3-12-19(14)17(20)15-8-6-9-16(13-15)23(21,22)18-10-4-5-11-18/h6,8-9,13-14H,2-5,7,10-12H2,1H3/t14-/m0/s1
InChIKeyHYRUOKUXCTYWDF-AWEZNQCLSA-N
MW336.46 g/mol
LogP2.49
Rot. Bonds3

About [(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 8502448) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID8502448
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H24N2O3S/c1-14-7-2-3-12-19(14)17(20)15-8-6-9-16(13-15)23(21,22)18-10-4-5-11-18/h6,8-9,13-14H,2-5,7,10-12H2,1H3/t14-/m0/s1
InChIKeyHYRUOKUXCTYWDF-AWEZNQCLSA-N
XLogP2.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)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

[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 51145477
N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 8502446
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone
CID 119467046
N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 93232744
[2-(1-aminoethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone;hydrochloride
CID 119435274
(2R)-1-[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]piperidine-2-carboxylic acid
CID 40809123
(2R)-1-[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]pyrrolidine-2-carboxylic acid
CID 119371631
(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109065552
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 8502448) is [(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone is C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of [(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is HYRUOKUXCTYWDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-14-7-2-3-12-19(14)17(20)15-8-6-9-16(13-15)23(21,22)18-10-4-5-11-18/h6,8-9,13-14H,2-5,7,10-12H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 336.46 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 8502448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).