[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C17H25N3O3S — CID 168680507

IUPAC[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N([C@@H]2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C17H25N3O3S/c18-24(22,23)13-15-9-17(21)20(11-15)16-7-4-8-19(12-16)10-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H2,18,22,23)/t15?,16-/m1/s1
InChIKeyHKKQSODLTNNLNA-OEMAIJDKSA-N
MW351.47 g/mol
LogP0.79
Rot. Bonds5

About [1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680507) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is [1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680507
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N([C@@H]2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C17H25N3O3S/c18-24(22,23)13-15-9-17(21)20(11-15)16-7-4-8-19(12-16)10-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H2,18,22,23)/t15?,16-/m1/s1
InChIKeyHKKQSODLTNNLNA-OEMAIJDKSA-N
XLogP0.79
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-1-benzylpiperidin-3-yl]-4-(bromomethyl)pyrrolidin-2-one
CID 168503517
4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one
CID 64590686
1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one
CID 168683832
1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661797
1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
1-(1-benzylpyrrolidin-3-yl)-4-sulfanylpyrrolidin-2-one
CID 168707846
[5-oxo-1-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]methanesulfonamide
CID 168683137
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712027
[1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680137
[5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168681810
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885

Frequently Asked Questions

What is the IUPAC name of [1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680507) is [1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N([C@@H]2CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of [1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is HKKQSODLTNNLNA-OEMAIJDKSA-N. The full InChI is InChI=1S/C17H25N3O3S/c18-24(22,23)13-15-9-17(21)20(11-15)16-7-4-8-19(12-16)10-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H2,18,22,23)/t15?,16-/m1/s1.
What are the key properties of [1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).