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

C9H16N2O2S — CID 14835914

IUPAC4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCSCCC(C(N)=O)N1CCCC1=O
InChIInChI=1S/C9H16N2O2S/c1-14-6-4-7(9(10)13)11-5-2-3-8(11)12/h7H,2-6H2,1H3,(H2,10,13)
InChIKeyFNOBQCMXIJNMIM-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.22
Rot. Bonds5

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

4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 14835914) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID14835914
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCSCCC(C(N)=O)N1CCCC1=O
InChIInChI=1S/C9H16N2O2S/c1-14-6-4-7(9(10)13)11-5-2-3-8(11)12/h7H,2-6H2,1H3,(H2,10,13)
InChIKeyFNOBQCMXIJNMIM-UHFFFAOYSA-N
XLogP0.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide 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

(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 68508171
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
N',N'-dimethyl-2-(2-oxopyrrolidin-1-yl)butanediamide
CID 70622201
2-(2-oxopyrrolidin-1-yl)pent-4-enamide
CID 70440707
methyl (2S)-2-(2-oxopyrrolidin-1-yl)butanoate;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;(2R)-2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
CID 161428490
amino 2-(2-oxopyrrolidin-1-yl)pentanoate
CID 90161932
2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide
CID 161254420
methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 143300675
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one
CID 123282095
(2S)-2-hydroxy-2-phenylacetic acid;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 139145126
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylsulfanylbutanoic acid
CID 168695770

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of 4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 14835914) is 4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for 4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for 4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide is CSCCC(C(N)=O)N1CCCC1=O.
What is the InChIKey of 4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is FNOBQCMXIJNMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-14-6-4-7(9(10)13)11-5-2-3-8(11)12/h7H,2-6H2,1H3,(H2,10,13).
What are the key properties of 4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide?
4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 216.31 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 14835914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).