3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one

C9H18N2O3S — CID 81189945

IUPAC3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one
SMILESCN1CCC(S(=O)(=O)CC(C)(C)N)C1=O
InChIInChI=1S/C9H18N2O3S/c1-9(2,10)6-15(13,14)7-4-5-11(3)8(7)12/h7H,4-6,10H2,1-3H3
InChIKeyFILXDNOCKHLCBT-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.63
Rot. Bonds3

About 3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one

3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one (PubChem CID 81189945) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one
PubChem CID81189945
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one
SMILESCN1CCC(S(=O)(=O)CC(C)(C)N)C1=O
InChIInChI=1S/C9H18N2O3S/c1-9(2,10)6-15(13,14)7-4-5-11(3)8(7)12/h7H,4-6,10H2,1-3H3
InChIKeyFILXDNOCKHLCBT-UHFFFAOYSA-N
XLogP-0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-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 3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one (CID 81189945) is 3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one is CN1CCC(S(=O)(=O)CC(C)(C)N)C1=O.
What is the InChIKey of 3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one?
The InChIKey is FILXDNOCKHLCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-9(2,10)6-15(13,14)7-4-5-11(3)8(7)12/h7H,4-6,10H2,1-3H3.
What are the key properties of 3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one?
3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one has a molecular weight of 234.32 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)sulfonyl-1-methylpyrrolidin-2-one is sourced from PubChem (CID 81189945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).