2-(3,5-dimethylphenyl)sulfanylacetamide

C10H13NOS — CID 82040529

IUPAC2-(3,5-dimethylphenyl)sulfanylacetamide
SMILESCc1cc(C)cc(SCC(N)=O)c1
InChIInChI=1S/C10H13NOS/c1-7-3-8(2)5-9(4-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H2,11,12)
InChIKeyBPHUMJHQTWOORK-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.88
Rot. Bonds3

About 2-(3,5-dimethylphenyl)sulfanylacetamide

2-(3,5-dimethylphenyl)sulfanylacetamide (PubChem CID 82040529) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)sulfanylacetamide
PubChem CID82040529
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-(3,5-dimethylphenyl)sulfanylacetamide
SMILESCc1cc(C)cc(SCC(N)=O)c1
InChIInChI=1S/C10H13NOS/c1-7-3-8(2)5-9(4-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H2,11,12)
InChIKeyBPHUMJHQTWOORK-UHFFFAOYSA-N
XLogP1.88
TPSA43.09 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of 2-(3,5-dimethylphenyl)sulfanylacetamide (CID 82040529) is 2-(3,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for 2-(3,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for 2-(3,5-dimethylphenyl)sulfanylacetamide is Cc1cc(C)cc(SCC(N)=O)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is BPHUMJHQTWOORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-3-8(2)5-9(4-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H2,11,12).
What are the key properties of 2-(3,5-dimethylphenyl)sulfanylacetamide?
2-(3,5-dimethylphenyl)sulfanylacetamide has a molecular weight of 195.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 82040529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).