4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide

C9H16N2O4S — CID 57148666

IUPAC4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCS(=O)(=O)CCC(C(N)=O)N1CCCC1=O
InChIInChI=1S/C9H16N2O4S/c1-16(14,15)6-4-7(9(10)13)11-5-2-3-8(11)12/h7H,2-6H2,1H3,(H2,10,13)
InChIKeyCFNJIOOIBAFIBF-UHFFFAOYSA-N
MW248.30 g/mol
LogP-1.10
Rot. Bonds5

About 4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide

4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 57148666) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID57148666
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCS(=O)(=O)CCC(C(N)=O)N1CCCC1=O
InChIInChI=1S/C9H16N2O4S/c1-16(14,15)6-4-7(9(10)13)11-5-2-3-8(11)12/h7H,2-6H2,1H3,(H2,10,13)
InChIKeyCFNJIOOIBAFIBF-UHFFFAOYSA-N
XLogP-1.10
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of 4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 57148666) is 4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for 4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for 4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide is CS(=O)(=O)CCC(C(N)=O)N1CCCC1=O.
What is the InChIKey of 4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is CFNJIOOIBAFIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-16(14,15)6-4-7(9(10)13)11-5-2-3-8(11)12/h7H,2-6H2,1H3,(H2,10,13).
What are the key properties of 4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide?
4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 248.30 g/mol, XLogP of -1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 57148666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).