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

C14H22N4O3S — CID 110258937

IUPAC1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
SMILESCn1cnc(S(=O)(=O)N2CCCC(CN3CCCC3=O)C2)c1
InChIInChI=1S/C14H22N4O3S/c1-16-10-13(15-11-16)22(20,21)18-7-2-4-12(9-18)8-17-6-3-5-14(17)19/h10-12H,2-9H2,1H3
InChIKeyANXHGMVQPLBAOV-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.44
Rot. Bonds4

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

1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 110258937) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID110258937
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
SMILESCn1cnc(S(=O)(=O)N2CCCC(CN3CCCC3=O)C2)c1
InChIInChI=1S/C14H22N4O3S/c1-16-10-13(15-11-16)22(20,21)18-7-2-4-12(9-18)8-17-6-3-5-14(17)19/h10-12H,2-9H2,1H3
InChIKeyANXHGMVQPLBAOV-UHFFFAOYSA-N
XLogP0.44
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one (CID 110258937) is 1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one is Cn1cnc(S(=O)(=O)N2CCCC(CN3CCCC3=O)C2)c1.
What is the InChIKey of 1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is ANXHGMVQPLBAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-16-10-13(15-11-16)22(20,21)18-7-2-4-12(9-18)8-17-6-3-5-14(17)19/h10-12H,2-9H2,1H3.
What are the key properties of 1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one?
1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 326.42 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 110258937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).