2-(2,5-dimethylphenyl)sulfanylpropanamide

C11H15NOS — CID 42903390

IUPAC2-(2,5-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(C)c(SC(C)C(N)=O)c1
InChIInChI=1S/C11H15NOS/c1-7-4-5-8(2)10(6-7)14-9(3)11(12)13/h4-6,9H,1-3H3,(H2,12,13)
InChIKeyQKTMMDKRXKNHSN-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.27
Rot. Bonds3

About 2-(2,5-dimethylphenyl)sulfanylpropanamide

2-(2,5-dimethylphenyl)sulfanylpropanamide (PubChem CID 42903390) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanylpropanamide
PubChem CID42903390
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-(2,5-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(C)c(SC(C)C(N)=O)c1
InChIInChI=1S/C11H15NOS/c1-7-4-5-8(2)10(6-7)14-9(3)11(12)13/h4-6,9H,1-3H3,(H2,12,13)
InChIKeyQKTMMDKRXKNHSN-UHFFFAOYSA-N
XLogP2.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanylpropanamide (CID 42903390) is 2-(2,5-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanylpropanamide is Cc1ccc(C)c(SC(C)C(N)=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanylpropanamide?
The InChIKey is QKTMMDKRXKNHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7-4-5-8(2)10(6-7)14-9(3)11(12)13/h4-6,9H,1-3H3,(H2,12,13).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanylpropanamide?
2-(2,5-dimethylphenyl)sulfanylpropanamide has a molecular weight of 209.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 42903390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).