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

C9H17NO2S — CID 106246374

IUPAC1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one
SMILESCSCC(C)(O)CN1CCCC1=O
InChIInChI=1S/C9H17NO2S/c1-9(12,7-13-2)6-10-5-3-4-8(10)11/h12H,3-7H2,1-2H3
InChIKeyAMXWVGKTBNRONN-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.72
Rot. Bonds4

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

1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one (PubChem CID 106246374) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one
PubChem CID106246374
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one
SMILESCSCC(C)(O)CN1CCCC1=O
InChIInChI=1S/C9H17NO2S/c1-9(12,7-13-2)6-10-5-3-4-8(10)11/h12H,3-7H2,1-2H3
InChIKeyAMXWVGKTBNRONN-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

1-(2-Hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832
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CID 123643672
1-(2-Methylpropyl)-3-methylsulfanylpyrrolidin-2-one
CID 169581984
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1-(2-Hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one
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CID 65951017
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 79380615
N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-3-carboxamide
CID 79380732
2-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79381119
N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide
CID 79381254
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide
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CID 79384280

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one (CID 106246374) is 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one is CSCC(C)(O)CN1CCCC1=O.
What is the InChIKey of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one?
The InChIKey is AMXWVGKTBNRONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(12,7-13-2)6-10-5-3-4-8(10)11/h12H,3-7H2,1-2H3.
What are the key properties of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one?
1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one has a molecular weight of 203.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 106246374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).