2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one

C9H17NO2S — CID 127004808

IUPAC2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one
SMILESCSC1CCN(C(=O)C(C)(C)O)C1
InChIInChI=1S/C9H17NO2S/c1-9(2,12)8(11)10-5-4-7(6-10)13-3/h7,12H,4-6H2,1-3H3
InChIKeyLRBOUEUFUJOYEU-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.72
Rot. Bonds2

About 2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one

2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one (PubChem CID 127004808) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one
PubChem CID127004808
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one
SMILESCSC1CCN(C(=O)C(C)(C)O)C1
InChIInChI=1S/C9H17NO2S/c1-9(2,12)8(11)10-5-4-7(6-10)13-3/h7,12H,4-6H2,1-3H3
InChIKeyLRBOUEUFUJOYEU-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

2-Hydroxy-4-(methylsulfanyl)-1-(pyrrolidin-1-yl)butan-1-one
CID 165677813
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-2-methyl-1-(3-methyl-3-sulfanylpyrrolidin-1-yl)propan-1-one
CID 123880966
3-(2-Hydroxy-2-methylpropyl)-1,3-thiazolidin-4-one
CID 15327108
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
CID 79381408
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-methylsulfanylpropanamide
CID 79384280

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one (CID 127004808) is 2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one is CSC1CCN(C(=O)C(C)(C)O)C1.
What is the InChIKey of 2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one?
The InChIKey is LRBOUEUFUJOYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(2,12)8(11)10-5-4-7(6-10)13-3/h7,12H,4-6H2,1-3H3.
What are the key properties of 2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one?
2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one has a molecular weight of 203.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 127004808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).