5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one

C10H18N2O3S — CID 91222267

IUPAC5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one
SMILESCNC(CSC1CC(=O)N(C)C1O)C(C)=O
InChIInChI=1S/C10H18N2O3S/c1-6(13)7(11-2)5-16-8-4-9(14)12(3)10(8)15/h7-8,10-11,15H,4-5H2,1-3H3
InChIKeySEPMVISWFJUWNY-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.55
Rot. Bonds5

About 5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one

5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one (PubChem CID 91222267) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one
PubChem CID91222267
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one
SMILESCNC(CSC1CC(=O)N(C)C1O)C(C)=O
InChIInChI=1S/C10H18N2O3S/c1-6(13)7(11-2)5-16-8-4-9(14)12(3)10(8)15/h7-8,10-11,15H,4-5H2,1-3H3
InChIKeySEPMVISWFJUWNY-UHFFFAOYSA-N
XLogP-0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one (CID 91222267) is 5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one is CNC(CSC1CC(=O)N(C)C1O)C(C)=O.
What is the InChIKey of 5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one?
The InChIKey is SEPMVISWFJUWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-6(13)7(11-2)5-16-8-4-9(14)12(3)10(8)15/h7-8,10-11,15H,4-5H2,1-3H3.
What are the key properties of 5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one?
5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one has a molecular weight of 246.33 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-4-[2-(methylamino)-3-oxobutyl]sulfanylpyrrolidin-2-one is sourced from PubChem (CID 91222267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).