3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one

C10H19NO2S — CID 123921706

IUPAC3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one
SMILESCCC(C)C(SC)N1CCC(O)C1=O
InChIInChI=1S/C10H19NO2S/c1-4-7(2)10(14-3)11-6-5-8(12)9(11)13/h7-8,10,12H,4-6H2,1-3H3
InChIKeyRHKQZCSDFPYVQO-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.31
Rot. Bonds4

About 3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one

3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one (PubChem CID 123921706) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one
PubChem CID123921706
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one
SMILESCCC(C)C(SC)N1CCC(O)C1=O
InChIInChI=1S/C10H19NO2S/c1-4-7(2)10(14-3)11-6-5-8(12)9(11)13/h7-8,10,12H,4-6H2,1-3H3
InChIKeyRHKQZCSDFPYVQO-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-4-(methylsulfanyl)-1-(pyrrolidin-1-yl)butan-1-one
CID 165677813
1-(2-Hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832
2-Hydroxy-1-[3-methyl-3-(methylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 123299254
2-Hydroxy-3-methylsulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 123395766
3-Hydroxy-3-methyl-1-(2-methylsulfanylbutan-2-yl)pyrrolidin-2-one
CID 123643672
2-Hydroxy-3-methyl-1-[3-methyl-3-(methylsulfanylmethyl)pyrrolidin-1-yl]butan-1-one
CID 124000905
2-Hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one
CID 131154012
1-[(4R)-4-hydroxy-2-methylsulfanylpyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 154672934
3-(2,3-Dihydroxypropyl)-2-pentan-3-yl-1,3-thiazolidin-4-one
CID 3802817
N,N-dibutyl-2-hydroxy-4-methylsulfanylbutanamide
CID 9992842
N-butyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide
CID 10082175
N-ethyl-2-hydroxy-N-methyl-4-methylsulfanylbutanamide
CID 10442545

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one (CID 123921706) is 3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one is CCC(C)C(SC)N1CCC(O)C1=O.
What is the InChIKey of 3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one?
The InChIKey is RHKQZCSDFPYVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-4-7(2)10(14-3)11-6-5-8(12)9(11)13/h7-8,10,12H,4-6H2,1-3H3.
What are the key properties of 3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one?
3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one has a molecular weight of 217.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-methyl-1-methylsulfanylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 123921706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).