(5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one

C6H11NO2S — CID 155417963

IUPAC(5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
SMILESCSC1C[C@H](O)N(C)C1=O
InChIInChI=1S/C6H11NO2S/c1-7-5(8)3-4(10-2)6(7)9/h4-5,8H,3H2,1-2H3/t4?,5-/m0/s1
InChIKeyHTRPTRUAAIQZEW-AKGZTFGVSA-N
MW161.23 g/mol
LogP-0.10
Rot. Bonds1

About (5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one

(5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one (PubChem CID 155417963) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is (5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
PubChem CID155417963
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name(5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
SMILESCSC1C[C@H](O)N(C)C1=O
InChIInChI=1S/C6H11NO2S/c1-7-5(8)3-4(10-2)6(7)9/h4-5,8H,3H2,1-2H3/t4?,5-/m0/s1
InChIKeyHTRPTRUAAIQZEW-AKGZTFGVSA-N
XLogP-0.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one?
The IUPAC name of (5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one (CID 155417963) is (5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one is CSC1C[C@H](O)N(C)C1=O.
What is the InChIKey of (5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one?
The InChIKey is HTRPTRUAAIQZEW-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-7-5(8)3-4(10-2)6(7)9/h4-5,8H,3H2,1-2H3/t4?,5-/m0/s1.
What are the key properties of (5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one?
(5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one has a molecular weight of 161.23 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-1-methyl-3-methylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 155417963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).