4-amino-N,N-dimethylbenzamide;ethanethial

C11H16N2OS — CID 142936880

IUPAC4-amino-N,N-dimethylbenzamide;ethanethial
SMILESCC=S.CN(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O.C2H4S/c1-11(2)9(12)7-3-5-8(10)6-4-7;1-2-3/h3-6H,10H2,1-2H3;2H,1H3
InChIKeyJTJFXNVRJVOEER-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.98
Rot. Bonds1

About 4-amino-N,N-dimethylbenzamide;ethanethial

4-amino-N,N-dimethylbenzamide;ethanethial (PubChem CID 142936880) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-amino-N,N-dimethylbenzamide;ethanethial.

Molecular Properties

Compound Name4-amino-N,N-dimethylbenzamide;ethanethial
PubChem CID142936880
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-amino-N,N-dimethylbenzamide;ethanethial
SMILESCC=S.CN(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O.C2H4S/c1-11(2)9(12)7-3-5-8(10)6-4-7;1-2-3/h3-6H,10H2,1-2H3;2H,1H3
InChIKeyJTJFXNVRJVOEER-UHFFFAOYSA-N
XLogP1.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 4306081
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide
CID 175266582
4-amino-N-butan-2-yl-N-methylbenzamide
CID 43272431
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
N,N-dimethyl-4-prop-1-ynylbenzamide
CID 89195364
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
CID 165437218
4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 22567507
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 60939876

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethylbenzamide;ethanethial?
The IUPAC name of 4-amino-N,N-dimethylbenzamide;ethanethial (CID 142936880) is 4-amino-N,N-dimethylbenzamide;ethanethial.
What is the SMILES notation for 4-amino-N,N-dimethylbenzamide;ethanethial?
The canonical SMILES for 4-amino-N,N-dimethylbenzamide;ethanethial is CC=S.CN(C)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N,N-dimethylbenzamide;ethanethial?
The InChIKey is JTJFXNVRJVOEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H4S/c1-11(2)9(12)7-3-5-8(10)6-4-7;1-2-3/h3-6H,10H2,1-2H3;2H,1H3.
What are the key properties of 4-amino-N,N-dimethylbenzamide;ethanethial?
4-amino-N,N-dimethylbenzamide;ethanethial has a molecular weight of 224.33 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethylbenzamide;ethanethial is sourced from PubChem (CID 142936880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).