N-(2-methylsulfinylethyl)butanamide

C7H15NO2S — CID 15312540

IUPACN-(2-methylsulfinylethyl)butanamide
SMILESCCCC(=O)NCCS(C)=O
InChIInChI=1S/C7H15NO2S/c1-3-4-7(9)8-5-6-11(2)10/h3-6H2,1-2H3,(H,8,9)
InChIKeyVLEOJSWHDHGYOL-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.28
Rot. Bonds5

About N-(2-methylsulfinylethyl)butanamide

N-(2-methylsulfinylethyl)butanamide (PubChem CID 15312540) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)butanamide.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)butanamide
PubChem CID15312540
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-(2-methylsulfinylethyl)butanamide
SMILESCCCC(=O)NCCS(C)=O
InChIInChI=1S/C7H15NO2S/c1-3-4-7(9)8-5-6-11(2)10/h3-6H2,1-2H3,(H,8,9)
InChIKeyVLEOJSWHDHGYOL-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylsulfanylethyl)butanamide
CID 2245988
N-(2-Sulfanylethyl)butanamide
CID 22222166
N-propanoyltaurine
CID 172407762
(4S)-4-methanesulfonylpyrrolidin-2-one
CID 130787450
Methyl(2-acetylaminoethyl)sulfoxide
CID 784953
N-ethyl-4-sulfamoylbutanamide
CID 23588047
Butanoyltaurine
CID 85956605
Bis[2-(n-butyrylamino)ethyl]sulfoxide
CID 13624920
(2S)-2-acetamido-4-methylsulfinylbutanamide
CID 139213106
2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide
CID 86119514
2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide
CID 103516057
2,2-difluoro-N-(3-methylsulfinylbutyl)acetamide
CID 103516066

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)butanamide?
The IUPAC name of N-(2-methylsulfinylethyl)butanamide (CID 15312540) is N-(2-methylsulfinylethyl)butanamide.
What is the SMILES notation for N-(2-methylsulfinylethyl)butanamide?
The canonical SMILES for N-(2-methylsulfinylethyl)butanamide is CCCC(=O)NCCS(C)=O.
What is the InChIKey of N-(2-methylsulfinylethyl)butanamide?
The InChIKey is VLEOJSWHDHGYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-4-7(9)8-5-6-11(2)10/h3-6H2,1-2H3,(H,8,9).
What are the key properties of N-(2-methylsulfinylethyl)butanamide?
N-(2-methylsulfinylethyl)butanamide has a molecular weight of 177.27 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)butanamide is sourced from PubChem (CID 15312540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).