3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide

C9H16N2O3S — CID 163555055

IUPAC3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1C(=O)C(SC)CC1O
InChIInChI=1S/C9H16N2O3S/c1-10-7(12)3-4-11-8(13)5-6(15-2)9(11)14/h6,8,13H,3-5H2,1-2H3,(H,10,12)
InChIKeyFMHRZUODSOGENW-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.60
Rot. Bonds4

About 3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide

3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide (PubChem CID 163555055) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide
PubChem CID163555055
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1C(=O)C(SC)CC1O
InChIInChI=1S/C9H16N2O3S/c1-10-7(12)3-4-11-8(13)5-6(15-2)9(11)14/h6,8,13H,3-5H2,1-2H3,(H,10,12)
InChIKeyFMHRZUODSOGENW-UHFFFAOYSA-N
XLogP-0.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide (CID 163555055) is 3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide is CNC(=O)CCN1C(=O)C(SC)CC1O.
What is the InChIKey of 3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide?
The InChIKey is FMHRZUODSOGENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-10-7(12)3-4-11-8(13)5-6(15-2)9(11)14/h6,8,13H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide?
3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide has a molecular weight of 232.30 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 163555055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).