N-methyl-3-(3-methylsulfanylanilino)propanamide

C11H16N2OS — CID 62324761

IUPACN-methyl-3-(3-methylsulfanylanilino)propanamide
SMILESCNC(=O)CCNc1cccc(SC)c1
InChIInChI=1S/C11H16N2OS/c1-12-11(14)6-7-13-9-4-3-5-10(8-9)15-2/h3-5,8,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyWWFMWTMTYZLPQZ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.96
Rot. Bonds5

About N-methyl-3-(3-methylsulfanylanilino)propanamide

N-methyl-3-(3-methylsulfanylanilino)propanamide (PubChem CID 62324761) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-methyl-3-(3-methylsulfanylanilino)propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-methylsulfanylanilino)propanamide
PubChem CID62324761
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-methyl-3-(3-methylsulfanylanilino)propanamide
SMILESCNC(=O)CCNc1cccc(SC)c1
InChIInChI=1S/C11H16N2OS/c1-12-11(14)6-7-13-9-4-3-5-10(8-9)15-2/h3-5,8,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyWWFMWTMTYZLPQZ-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-methylsulfanylanilino)acetamide
CID 28568297
3-(3-bromoanilino)-N-methylpropanamide
CID 62324388
methyl 4-(3-methylsulfanylanilino)butanoate
CID 43377793
3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196
3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 62831539
3-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 62325316
N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide
CID 60961432
1-(3-methylsulfanylphenyl)-3-(3-oxobutyl)urea
CID 108895083
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
N-dodecyl-3-methylsulfanylaniline
CID 63489797
3-methylsulfanyl-N-(2-phenylsulfanylethyl)aniline
CID 79212652
4-(3-methylsulfanylanilino)-4-oxobutanoate
CID 4085618

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylsulfanylanilino)propanamide?
The IUPAC name of N-methyl-3-(3-methylsulfanylanilino)propanamide (CID 62324761) is N-methyl-3-(3-methylsulfanylanilino)propanamide.
What is the SMILES notation for N-methyl-3-(3-methylsulfanylanilino)propanamide?
The canonical SMILES for N-methyl-3-(3-methylsulfanylanilino)propanamide is CNC(=O)CCNc1cccc(SC)c1.
What is the InChIKey of N-methyl-3-(3-methylsulfanylanilino)propanamide?
The InChIKey is WWFMWTMTYZLPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-12-11(14)6-7-13-9-4-3-5-10(8-9)15-2/h3-5,8,13H,6-7H2,1-2H3,(H,12,14).
What are the key properties of N-methyl-3-(3-methylsulfanylanilino)propanamide?
N-methyl-3-(3-methylsulfanylanilino)propanamide has a molecular weight of 224.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylsulfanylanilino)propanamide is sourced from PubChem (CID 62324761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).