N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide

C9H16N2O3S — CID 115764461

IUPACN-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(CNC(=O)C1CNC(=O)C1)S(C)=O
InChIInChI=1S/C9H16N2O3S/c1-6(15(2)14)4-11-9(13)7-3-8(12)10-5-7/h6-7H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyIGGSONJPFISLHK-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.99
Rot. Bonds4

About N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide

N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 115764461) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID115764461
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(CNC(=O)C1CNC(=O)C1)S(C)=O
InChIInChI=1S/C9H16N2O3S/c1-6(15(2)14)4-11-9(13)7-3-8(12)10-5-7/h6-7H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyIGGSONJPFISLHK-UHFFFAOYSA-N
XLogP-0.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 83192944
N-[2-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 78983231
N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 81486208
N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 115613116
N-(3-methoxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 78983025
5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 102610483
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
4-ethyl-N-[(2R)-2-[(R)-methylsulfinyl]propyl]cyclohexane-1-carboxamide
CID 100650066
2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
CID 83192791
N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981655
N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide
CID 81459469
N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide
CID 115692112

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 115764461) is N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(CNC(=O)C1CNC(=O)C1)S(C)=O.
What is the InChIKey of N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IGGSONJPFISLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-6(15(2)14)4-11-9(13)7-3-8(12)10-5-7/h6-7H,3-5H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 232.30 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 115764461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).