4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one

C10H19N3O3S — CID 168699642

IUPAC4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one
SMILESCS(=O)(=O)N1CCC(N2CC(N)CC2=O)CC1
InChIInChI=1S/C10H19N3O3S/c1-17(15,16)12-4-2-9(3-5-12)13-7-8(11)6-10(13)14/h8-9H,2-7,11H2,1H3
InChIKeyXETOAHMDMXJCHK-UHFFFAOYSA-N
MW261.35 g/mol
LogP-1.03
Rot. Bonds2

About 4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one

4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 168699642) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID168699642
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one
SMILESCS(=O)(=O)N1CCC(N2CC(N)CC2=O)CC1
InChIInChI=1S/C10H19N3O3S/c1-17(15,16)12-4-2-9(3-5-12)13-7-8(11)6-10(13)14/h8-9H,2-7,11H2,1H3
InChIKeyXETOAHMDMXJCHK-UHFFFAOYSA-N
XLogP-1.03
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-(1-methylsulfonylpiperidin-4-yl)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

Related Compounds

1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696646
4-amino-1-cyclopentylpyrrolidin-2-one;hydrochloride
CID 72716151
4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one
CID 61465092
S-[1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705363
(3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94008544
4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168700059
4-amino-1-cyclopentylpiperidin-2-one
CID 83636323
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 99919595
4-amino-1-(2,2-dimethyl-1,3-dioxan-5-yl)pyrrolidin-2-one
CID 168699125
tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168698716
1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711327

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one (CID 168699642) is 4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one is CS(=O)(=O)N1CCC(N2CC(N)CC2=O)CC1.
What is the InChIKey of 4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is XETOAHMDMXJCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-17(15,16)12-4-2-9(3-5-12)13-7-8(11)6-10(13)14/h8-9H,2-7,11H2,1H3.
What are the key properties of 4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one?
4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 261.35 g/mol, XLogP of -1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168699642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).