N-(3-methylsulfanylphenyl)propanamide

C10H13NOS — CID 837887

IUPACN-(3-methylsulfanylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(SC)c1
InChIInChI=1S/C10H13NOS/c1-3-10(12)11-8-5-4-6-9(7-8)13-2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyLXTGNZPKFXTWKD-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.76
Rot. Bonds3

About N-(3-methylsulfanylphenyl)propanamide

N-(3-methylsulfanylphenyl)propanamide (PubChem CID 837887) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)propanamide
PubChem CID837887
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN-(3-methylsulfanylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(SC)c1
InChIInChI=1S/C10H13NOS/c1-3-10(12)11-8-5-4-6-9(7-8)13-2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyLXTGNZPKFXTWKD-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of N-(3-methylsulfanylphenyl)propanamide (CID 837887) is N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)propanamide is CCC(=O)Nc1cccc(SC)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is LXTGNZPKFXTWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-3-10(12)11-8-5-4-6-9(7-8)13-2/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of N-(3-methylsulfanylphenyl)propanamide?
N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 195.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 837887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).