N-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide

C9H16N2O2S — CID 123280376

IUPACN-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide
SMILESCNC(=O)CCN1CC(SC)CC1=O
InChIInChI=1S/C9H16N2O2S/c1-10-8(12)3-4-11-6-7(14-2)5-9(11)13/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyGWHBEOLTSJZIGY-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.09
Rot. Bonds4

About N-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide

N-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide (PubChem CID 123280376) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide
PubChem CID123280376
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide
SMILESCNC(=O)CCN1CC(SC)CC1=O
InChIInChI=1S/C9H16N2O2S/c1-10-8(12)3-4-11-6-7(14-2)5-9(11)13/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyGWHBEOLTSJZIGY-UHFFFAOYSA-N
XLogP0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide (CID 123280376) is N-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide is CNC(=O)CCN1CC(SC)CC1=O.
What is the InChIKey of N-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is GWHBEOLTSJZIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-10-8(12)3-4-11-6-7(14-2)5-9(11)13/h7H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide?
N-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 216.31 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 123280376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).