1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one

C17H24N2O3S — CID 17175034

IUPAC1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESCC1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1C
InChIInChI=1S/C17H24N2O3S/c1-13-5-3-12-19(14(13)2)23(21,22)16-9-7-15(8-10-16)18-11-4-6-17(18)20/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyPYCUVHRWVQBKOA-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.62
Rot. Bonds3

About 1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one

1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one (PubChem CID 17175034) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
PubChem CID17175034
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESCC1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1C
InChIInChI=1S/C17H24N2O3S/c1-13-5-3-12-19(14(13)2)23(21,22)16-9-7-15(8-10-16)18-11-4-6-17(18)20/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyPYCUVHRWVQBKOA-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 110739907
1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 51320556
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one
CID 71653935
1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 119969465
1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione
CID 110728255
1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one
CID 41142720
1-[4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 40987453
1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 9292872
1-[4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 40987447
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 128977330
(2S)-1-(4-methoxyphenyl)sulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 42121488

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one (CID 17175034) is 1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one is CC1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1C.
What is the InChIKey of 1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The InChIKey is PYCUVHRWVQBKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13-5-3-12-19(14(13)2)23(21,22)16-9-7-15(8-10-16)18-11-4-6-17(18)20/h7-10,13-14H,3-6,11-12H2,1-2H3.
What are the key properties of 1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one has a molecular weight of 336.46 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 17175034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).