1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one

C15H24N4O3S — CID 16676249

IUPAC1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCC(CN2CCCC2=O)C1
InChIInChI=1S/C15H24N4O3S/c1-12-14(11-17(2)16-12)23(21,22)19-8-3-5-13(10-19)9-18-7-4-6-15(18)20/h11,13H,3-10H2,1-2H3
InChIKeyDJOODBJBKAPUJI-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.75
Rot. Bonds4

About 1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one

1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 16676249) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID16676249
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCC(CN2CCCC2=O)C1
InChIInChI=1S/C15H24N4O3S/c1-12-14(11-17(2)16-12)23(21,22)19-8-3-5-13(10-19)9-18-7-4-6-15(18)20/h11,13H,3-10H2,1-2H3
InChIKeyDJOODBJBKAPUJI-UHFFFAOYSA-N
XLogP0.75
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one (CID 16676249) is 1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one is Cc1nn(C)cc1S(=O)(=O)N1CCCC(CN2CCCC2=O)C1.
What is the InChIKey of 1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is DJOODBJBKAPUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-12-14(11-17(2)16-12)23(21,22)19-8-3-5-13(10-19)9-18-7-4-6-15(18)20/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one?
1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 340.45 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 16676249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).