2-(3-methylanilino)-2-sulfanylideneacetamide

C9H10N2OS — CID 17385629

IUPAC2-(3-methylanilino)-2-sulfanylideneacetamide
SMILESCc1cccc(NC(=S)C(N)=O)c1
InChIInChI=1S/C9H10N2OS/c1-6-3-2-4-7(5-6)11-9(13)8(10)12/h2-5H,1H3,(H2,10,12)(H,11,13)
InChIKeyXFUZKRYKYPVBDR-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.22
Rot. Bonds1

About 2-(3-methylanilino)-2-sulfanylideneacetamide

2-(3-methylanilino)-2-sulfanylideneacetamide (PubChem CID 17385629) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-(3-methylanilino)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(3-methylanilino)-2-sulfanylideneacetamide
PubChem CID17385629
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2-(3-methylanilino)-2-sulfanylideneacetamide
SMILESCc1cccc(NC(=S)C(N)=O)c1
InChIInChI=1S/C9H10N2OS/c1-6-3-2-4-7(5-6)11-9(13)8(10)12/h2-5H,1H3,(H2,10,12)(H,11,13)
InChIKeyXFUZKRYKYPVBDR-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)acetamide
CID 10843
1,3-bis[(3-methylphenyl)carbamothioylamino]urea
CID 2823948
N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide
CID 169358288
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
(2R)-1-[(3-methylphenyl)carbamothioyl]pyrrolidine-2-carboxamide
CID 8680082
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
CID 61122216
3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
CID 13456213
(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 32704805
2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 24643360

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-2-sulfanylideneacetamide?
The IUPAC name of 2-(3-methylanilino)-2-sulfanylideneacetamide (CID 17385629) is 2-(3-methylanilino)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(3-methylanilino)-2-sulfanylideneacetamide?
The canonical SMILES for 2-(3-methylanilino)-2-sulfanylideneacetamide is Cc1cccc(NC(=S)C(N)=O)c1.
What is the InChIKey of 2-(3-methylanilino)-2-sulfanylideneacetamide?
The InChIKey is XFUZKRYKYPVBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-6-3-2-4-7(5-6)11-9(13)8(10)12/h2-5H,1H3,(H2,10,12)(H,11,13).
What are the key properties of 2-(3-methylanilino)-2-sulfanylideneacetamide?
2-(3-methylanilino)-2-sulfanylideneacetamide has a molecular weight of 194.26 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-2-sulfanylideneacetamide is sourced from PubChem (CID 17385629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).