3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one

C9H17NO2S — CID 130683698

IUPAC3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one
SMILESCN1CCC(SC(C)(C)CO)C1=O
InChIInChI=1S/C9H17NO2S/c1-9(2,6-11)13-7-4-5-10(3)8(7)12/h7,11H,4-6H2,1-3H3
InChIKeyFKQCGMMIVJIOBO-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.72
Rot. Bonds3

About 3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one

3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one (PubChem CID 130683698) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one
PubChem CID130683698
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one
SMILESCN1CCC(SC(C)(C)CO)C1=O
InChIInChI=1S/C9H17NO2S/c1-9(2,6-11)13-7-4-5-10(3)8(7)12/h7,11H,4-6H2,1-3H3
InChIKeyFKQCGMMIVJIOBO-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one
CID 71930985
2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol
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(3R)-3-tert-butyl-1-methylpyrrolidin-2-one
CID 155363836
3-[3-(hydroxymethyl)phenyl]sulfanyl-1-methylpyrrolidin-2-one
CID 66348175
(3R)-3-[3-(hydroxymethyl)phenyl]sulfanyl-1-methylpyrrolidin-2-one
CID 124511117
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CID 83082507
3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride
CID 154852977
2-hydroxy-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106509766
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-methylpyrrolidin-2-one
CID 111547689
1-methyl-3-phosphanylpyrrolidin-2-one
CID 90168334
1,3-dimethylpyrrolidin-2-one;ethane
CID 142056309
(3S)-1,3-dimethylpyrrolidin-2-one;ethane
CID 144550831

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one (CID 130683698) is 3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one is CN1CCC(SC(C)(C)CO)C1=O.
What is the InChIKey of 3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one?
The InChIKey is FKQCGMMIVJIOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(2,6-11)13-7-4-5-10(3)8(7)12/h7,11H,4-6H2,1-3H3.
What are the key properties of 3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one?
3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one has a molecular weight of 203.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-methylpropan-2-yl)sulfanyl-1-methylpyrrolidin-2-one is sourced from PubChem (CID 130683698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).