3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide

C13H21N3OS — CID 112656319

IUPAC3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C13H21N3OS/c1-15(2)12-6-5-10(9-11(12)14)13(17)16(3)7-8-18-4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyQUZARVNEQRDFBC-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.77
Rot. Bonds5

About 3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide

3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide (PubChem CID 112656319) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
PubChem CID112656319
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C13H21N3OS/c1-15(2)12-6-5-10(9-11(12)14)13(17)16(3)7-8-18-4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyQUZARVNEQRDFBC-UHFFFAOYSA-N
XLogP1.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
methyl 4-[[3-amino-4-(dimethylamino)benzoyl]-methylamino]butanoate
CID 61108493
3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656301
3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093615
3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389
4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide
CID 107034188
N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 112658883
N-(2-aminoethyl)-4-(dimethylamino)-N,3-dimethylbenzamide
CID 83969270

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide (CID 112656319) is 3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide is CSCCN(C)C(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is QUZARVNEQRDFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-15(2)12-6-5-10(9-11(12)14)13(17)16(3)7-8-18-4/h5-6,9H,7-8,14H2,1-4H3.
What are the key properties of 3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide?
3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 267.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 112656319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).