1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione

C10H16N2O3S — CID 118351913

IUPAC1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione
SMILESCNC(CSC1CC(=O)N(C)C1=O)C(C)=O
InChIInChI=1S/C10H16N2O3S/c1-6(13)7(11-2)5-16-8-4-9(14)12(3)10(8)15/h7-8,11H,4-5H2,1-3H3
InChIKeyJYOUFDPTUHPEKM-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.35
Rot. Bonds5

About 1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione

1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione (PubChem CID 118351913) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione
PubChem CID118351913
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione
SMILESCNC(CSC1CC(=O)N(C)C1=O)C(C)=O
InChIInChI=1S/C10H16N2O3S/c1-6(13)7(11-2)5-16-8-4-9(14)12(3)10(8)15/h7-8,11H,4-5H2,1-3H3
InChIKeyJYOUFDPTUHPEKM-UHFFFAOYSA-N
XLogP-0.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-2-oxothiolan-3-yl]butanamide
CID 40610542
3-[(2-Aminoethyl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
CID 43638417
(2S)-4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 14835915
3-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide
CID 134840045
1-(1-Amino-3-oxobutan-2-yl)-3-[2-(fluoroamino)ethylsulfanyl]pyrrolidine-2,5-dione
CID 162764549
N-(2-oxothiolan-3-yl)butanamide
CID 4428038
N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 13048739
N-(N-Acetyl-S-ethyl-L-cysteinyl)pyrrolidine
CID 13048740
4-Methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 14835914
3-(2-Aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43638414
3-(2-Aminoethylsulfanyl)-1-methylpyrrolidine-2,5-dione
CID 43638415
1-(4-Acetyl-2-methyl-1,3-thiazolidin-3-yl)-2-(methylamino)butan-1-one
CID 53766434

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione (CID 118351913) is 1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione is CNC(CSC1CC(=O)N(C)C1=O)C(C)=O.
What is the InChIKey of 1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione?
The InChIKey is JYOUFDPTUHPEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-6(13)7(11-2)5-16-8-4-9(14)12(3)10(8)15/h7-8,11H,4-5H2,1-3H3.
What are the key properties of 1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione?
1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione has a molecular weight of 244.32 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 118351913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).