4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide

C12H22N2O3S — CID 22387137

IUPAC4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide
SMILESCCCC1CC(=O)N(C(CCS(C)=O)C(N)=O)C1
InChIInChI=1S/C12H22N2O3S/c1-3-4-9-7-11(15)14(8-9)10(12(13)16)5-6-18(2)17/h9-10H,3-8H2,1-2H3,(H2,13,16)
InChIKeyXUNQKQYAPCPATF-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.26
Rot. Bonds7

About 4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide

4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide (PubChem CID 22387137) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide
PubChem CID22387137
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide
SMILESCCCC1CC(=O)N(C(CCS(C)=O)C(N)=O)C1
InChIInChI=1S/C12H22N2O3S/c1-3-4-9-7-11(15)14(8-9)10(12(13)16)5-6-18(2)17/h9-10H,3-8H2,1-2H3,(H2,13,16)
InChIKeyXUNQKQYAPCPATF-UHFFFAOYSA-N
XLogP0.26
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide?
The IUPAC name of 4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide (CID 22387137) is 4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for 4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide?
The canonical SMILES for 4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide is CCCC1CC(=O)N(C(CCS(C)=O)C(N)=O)C1.
What is the InChIKey of 4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide?
The InChIKey is XUNQKQYAPCPATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-3-4-9-7-11(15)14(8-9)10(12(13)16)5-6-18(2)17/h9-10H,3-8H2,1-2H3,(H2,13,16).
What are the key properties of 4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide?
4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide has a molecular weight of 274.39 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 22387137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).