5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one

C6H11NO3S — CID 163922637

IUPAC5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one
SMILESCSC1CC(=O)N(CO)C1O
InChIInChI=1S/C6H11NO3S/c1-11-4-2-5(9)7(3-8)6(4)10/h4,6,8,10H,2-3H2,1H3
InChIKeyRBTGVFJSBLFEFU-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.78
Rot. Bonds2

About 5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one

5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one (PubChem CID 163922637) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one
PubChem CID163922637
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one
SMILESCSC1CC(=O)N(CO)C1O
InChIInChI=1S/C6H11NO3S/c1-11-4-2-5(9)7(3-8)6(4)10/h4,6,8,10H,2-3H2,1H3
InChIKeyRBTGVFJSBLFEFU-UHFFFAOYSA-N
XLogP-0.78
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one (CID 163922637) is 5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one is CSC1CC(=O)N(CO)C1O.
What is the InChIKey of 5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one?
The InChIKey is RBTGVFJSBLFEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-11-4-2-5(9)7(3-8)6(4)10/h4,6,8,10H,2-3H2,1H3.
What are the key properties of 5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one?
5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one has a molecular weight of 177.22 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(hydroxymethyl)-4-methylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 163922637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).