3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one

C10H19NO2S — CID 123643672

IUPAC3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one
SMILESCCC(C)(SC)N1CCC(C)(O)C1=O
InChIInChI=1S/C10H19NO2S/c1-5-10(3,14-4)11-7-6-9(2,13)8(11)12/h13H,5-7H2,1-4H3
InChIKeySBVRFXHXLDFANS-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.46
Rot. Bonds3

About 3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one

3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one (PubChem CID 123643672) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one
PubChem CID123643672
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one
SMILESCCC(C)(SC)N1CCC(C)(O)C1=O
InChIInChI=1S/C10H19NO2S/c1-5-10(3,14-4)11-7-6-9(2,13)8(11)12/h13H,5-7H2,1-4H3
InChIKeySBVRFXHXLDFANS-UHFFFAOYSA-N
XLogP1.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tert-butyl-3-hydroxy-3-methylpyrrolidin-2-one
CID 117878210
1-Butan-2-yl-3-hydroxy-3-methylpyrrolidin-2-one
CID 123622183
3-Hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one
CID 123921706
1-(3-Hydroxy-3-methylpyrrolidin-1-yl)-3-methylsulfanylpropan-1-one
CID 103726884
2-Butylsulfanyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727468
1-(2-Hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one
CID 106246374
2-Hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one
CID 127004808
1-(3-Hydroxy-3-methylpyrrolidin-1-yl)-2-methylsulfanylpropan-1-one
CID 130668244
1-[2-(2-Hydroxy-2-methylpropyl)-1,3-thiazolidin-3-yl]-3-methylbutan-1-one
CID 144295337
S-[[1-(2-hydroxy-2-methylpropyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666304
S-[1-(2-hydroxy-2-methylpropyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704711

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one (CID 123643672) is 3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one is CCC(C)(SC)N1CCC(C)(O)C1=O.
What is the InChIKey of 3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one?
The InChIKey is SBVRFXHXLDFANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-5-10(3,14-4)11-7-6-9(2,13)8(11)12/h13H,5-7H2,1-4H3.
What are the key properties of 3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one?
3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one has a molecular weight of 217.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 123643672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).