N-methyl-3-methylsulfinylpropanamide

C5H11NO2S — CID 54145618

IUPACN-methyl-3-methylsulfinylpropanamide
SMILESCNC(=O)CCS(C)=O
InChIInChI=1S/C5H11NO2S/c1-6-5(7)3-4-9(2)8/h3-4H2,1-2H3,(H,6,7)
InChIKeyOEECTAIMRAEMEP-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.50
Rot. Bonds3

About N-methyl-3-methylsulfinylpropanamide

N-methyl-3-methylsulfinylpropanamide (PubChem CID 54145618) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is N-methyl-3-methylsulfinylpropanamide.

Molecular Properties

Compound NameN-methyl-3-methylsulfinylpropanamide
PubChem CID54145618
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC NameN-methyl-3-methylsulfinylpropanamide
SMILESCNC(=O)CCS(C)=O
InChIInChI=1S/C5H11NO2S/c1-6-5(7)3-4-9(2)8/h3-4H2,1-2H3,(H,6,7)
InChIKeyOEECTAIMRAEMEP-UHFFFAOYSA-N
XLogP-0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfinylpropanamide?
The IUPAC name of N-methyl-3-methylsulfinylpropanamide (CID 54145618) is N-methyl-3-methylsulfinylpropanamide.
What is the SMILES notation for N-methyl-3-methylsulfinylpropanamide?
The canonical SMILES for N-methyl-3-methylsulfinylpropanamide is CNC(=O)CCS(C)=O.
What is the InChIKey of N-methyl-3-methylsulfinylpropanamide?
The InChIKey is OEECTAIMRAEMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6-5(7)3-4-9(2)8/h3-4H2,1-2H3,(H,6,7).
What are the key properties of N-methyl-3-methylsulfinylpropanamide?
N-methyl-3-methylsulfinylpropanamide has a molecular weight of 149.22 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfinylpropanamide is sourced from PubChem (CID 54145618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).