N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide

C9H11NO2S — CID 12033157

IUPACN-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide
SMILESCC(=O)N=S(C)(=O)c1ccccc1
InChIInChI=1S/C9H11NO2S/c1-8(11)10-13(2,12)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyLZFBHPJATFEBQZ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.69
Rot. Bonds1

About N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide

N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide (PubChem CID 12033157) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide.

Molecular Properties

Compound NameN-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide
PubChem CID12033157
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide
SMILESCC(=O)N=S(C)(=O)c1ccccc1
InChIInChI=1S/C9H11NO2S/c1-8(11)10-13(2,12)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyLZFBHPJATFEBQZ-UHFFFAOYSA-N
XLogP1.69
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 519772
(N-amino-S-methylsulfonimidoyl)benzene
CID 129116146
N-(methyl-oxo-phenyl-λ6-sulfanylidene)cyclohexanecarboxamide
CID 122208403
acetic acid;benzenesulfonic acid;methanesulfonic acid
CID 23154555
trimethyl-[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]silane
CID 25041125
carbonofluoridic acid;methylsulfonylbenzene
CID 174721962
N'-(benzenesulfonyl)ethanimidamide
CID 3716690
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-3-nitrobenzamide
CID 122208395
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-5-(2-phenylethynyl)pyridine-3-carboxamide
CID 24952432
CID 87966251
CID 87966251
[(Z)-2-(benzenesulfonyl)-2-bromoethenyl]imino-methyl-oxo-phenyl-λ6-sulfane
CID 122376732
(Z)-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoic acid
CID 69412330

Frequently Asked Questions

What is the IUPAC name of N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide?
The IUPAC name of N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide (CID 12033157) is N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide.
What is the SMILES notation for N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide?
The canonical SMILES for N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide is CC(=O)N=S(C)(=O)c1ccccc1.
What is the InChIKey of N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide?
The InChIKey is LZFBHPJATFEBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-8(11)10-13(2,12)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide?
N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide has a molecular weight of 197.26 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide is sourced from PubChem (CID 12033157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).