[(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone

C15H22N2O4S — CID 97256522

IUPAC[(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCCC2)o1
InChIInChI=1S/C15H22N2O4S/c1-12-7-8-14(21-12)22(19,20)17-11-3-2-6-13(17)15(18)16-9-4-5-10-16/h7-8,13H,2-6,9-11H2,1H3/t13-/m0/s1
InChIKeyQHDQSWORSSXFDU-ZDUSSCGKSA-N
MW326.42 g/mol
LogP1.75
Rot. Bonds3

About [(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone

[(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97256522) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is [(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID97256522
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name[(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCCC2)o1
InChIInChI=1S/C15H22N2O4S/c1-12-7-8-14(21-12)22(19,20)17-11-3-2-6-13(17)15(18)16-9-4-5-10-16/h7-8,13H,2-6,9-11H2,1H3/t13-/m0/s1
InChIKeyQHDQSWORSSXFDU-ZDUSSCGKSA-N
XLogP1.75
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-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

[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119184800
[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 16801813
azepan-1-yl-[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanone
CID 24604648
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[(2S)-1-[4-(5-methylfuran-2-yl)phenyl]sulfonylpiperidin-2-yl]methanone
CID 44571003
[1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55941516
5-[2-(4-ethenylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120550136
ethyl 5-[2-(4-cyanopiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate
CID 49062122
4-(5-methylfuran-2-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine 1,1-dioxide
CID 167791329
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
(4-ethylpiperazin-1-yl)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanone
CID 2320019
[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 41009516

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone (CID 97256522) is [(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCCC2)o1.
What is the InChIKey of [(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QHDQSWORSSXFDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12-7-8-14(21-12)22(19,20)17-11-3-2-6-13(17)15(18)16-9-4-5-10-16/h7-8,13H,2-6,9-11H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 326.42 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(5-methylfuran-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97256522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).