3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide

C11H14N2OS — CID 82179287

IUPAC3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CC(N)=S)c1
InChIInChI=1S/C11H14N2OS/c1-13(2)11(14)9-5-3-4-8(6-9)7-10(12)15/h3-6H,7H2,1-2H3,(H2,12,15)
InChIKeyGOASWZYEJVQULJ-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.22
Rot. Bonds3

About 3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide

3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide (PubChem CID 82179287) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide
PubChem CID82179287
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CC(N)=S)c1
InChIInChI=1S/C11H14N2OS/c1-13(2)11(14)9-5-3-4-8(6-9)7-10(12)15/h3-6H,7H2,1-2H3,(H2,12,15)
InChIKeyGOASWZYEJVQULJ-UHFFFAOYSA-N
XLogP1.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(2-amino-2-sulfanylideneethyl)benzoyl]-methylamino]propanoic acid
CID 82178968
3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide
CID 82179274
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
butyl 3-(2-amino-2-sulfanylideneethyl)benzoate
CID 82179722
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 82178970
N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide
CID 140929179
3-(2-amino-2-sulfanylideneethyl)-N-(4-ethylphenyl)benzamide
CID 82179523
3-(3-ethylphenyl)-N,N-dimethylbenzamide
CID 20651355
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide (CID 82179287) is 3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CC(N)=S)c1.
What is the InChIKey of 3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide?
The InChIKey is GOASWZYEJVQULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-13(2)11(14)9-5-3-4-8(6-9)7-10(12)15/h3-6H,7H2,1-2H3,(H2,12,15).
What are the key properties of 3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide?
3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide has a molecular weight of 222.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 82179287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).