1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one

C17H24N2O3S — CID 847828

IUPAC1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H24N2O3S/c1-13-11-15(19-10-6-7-16(19)20)12-14(2)17(13)23(21,22)18-8-4-3-5-9-18/h11-12H,3-10H2,1-2H3
InChIKeyDUEJSRHOKPORQZ-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.60
Rot. Bonds3

About 1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one

1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one (PubChem CID 847828) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one
PubChem CID847828
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H24N2O3S/c1-13-11-15(19-10-6-7-16(19)20)12-14(2)17(13)23(21,22)18-8-4-3-5-9-18/h11-12H,3-10H2,1-2H3
InChIKeyDUEJSRHOKPORQZ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one (CID 847828) is 1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one is Cc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
The InChIKey is DUEJSRHOKPORQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13-11-15(19-10-6-7-16(19)20)12-14(2)17(13)23(21,22)18-8-4-3-5-9-18/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one has a molecular weight of 336.46 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 847828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).