N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide

C10H13NO3S2 — CID 5461261

IUPACN-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide
SMILESCSCC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO3S2/c1-8-3-5-9(6-4-8)16(13,14)11-10(12)7-15-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyTWJVYGRLCQQQME-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.16
Rot. Bonds4

About N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide

N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide (PubChem CID 5461261) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide
PubChem CID5461261
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC NameN-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide
SMILESCSCC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO3S2/c1-8-3-5-9(6-4-8)16(13,14)11-10(12)7-15-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyTWJVYGRLCQQQME-UHFFFAOYSA-N
XLogP1.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide (CID 5461261) is N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide is CSCC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide?
The InChIKey is TWJVYGRLCQQQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-8-3-5-9(6-4-8)16(13,14)11-10(12)7-15-2/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide?
N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide has a molecular weight of 259.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-2-methylsulfanylacetamide is sourced from PubChem (CID 5461261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).