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

C11H16N2OS — CID 112656326

IUPAC4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2OS/c1-13(7-8-15-2)11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3
InChIKeyVGHOHCZFJVCDNQ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.70
Rot. Bonds4

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

4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide (PubChem CID 112656326) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
PubChem CID112656326
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2OS/c1-13(7-8-15-2)11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3
InChIKeyVGHOHCZFJVCDNQ-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656301
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide
CID 175266582
3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656319
4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 22567507
3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
CID 119754957
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide (CID 112656326) is 4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide is CSCCN(C)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is VGHOHCZFJVCDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-13(7-8-15-2)11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide?
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 224.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 112656326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).