4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide

C11H17N3OS — CID 112656815

IUPAC4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide
SMILESCSCCN(C)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C11H17N3OS/c1-14(5-6-16-2)10-7-8(11(13)15)3-4-9(10)12/h3-4,7H,5-6,12H2,1-2H3,(H2,13,15)
InChIKeyLUVMZYLIQIAJQJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.17
Rot. Bonds5

About 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide

4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide (PubChem CID 112656815) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide
PubChem CID112656815
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide
SMILESCSCCN(C)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C11H17N3OS/c1-14(5-6-16-2)10-7-8(11(13)15)3-4-9(10)12/h3-4,7H,5-6,12H2,1-2H3,(H2,13,15)
InChIKeyLUVMZYLIQIAJQJ-UHFFFAOYSA-N
XLogP1.17
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-[methyl(2-methylsulfanylethyl)amino]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

methyl 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzoate
CID 112663478
ethyl 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzoate
CID 112663470
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzonitrile
CID 104712233
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide
CID 63355837
4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 63356230
2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656826
4-amino-3-[(4-bromothiophen-2-yl)methyl-methylamino]benzamide
CID 63356603
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-ethylbenzamide
CID 55225782
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656745
3-[methyl(2-methylsulfanylethyl)amino]-4-nitrobenzoic acid
CID 112660333
3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656319

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide?
The IUPAC name of 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide (CID 112656815) is 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide?
The canonical SMILES for 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide is CSCCN(C)c1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide?
The InChIKey is LUVMZYLIQIAJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-14(5-6-16-2)10-7-8(11(13)15)3-4-9(10)12/h3-4,7H,5-6,12H2,1-2H3,(H2,13,15).
What are the key properties of 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide?
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide has a molecular weight of 239.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide is sourced from PubChem (CID 112656815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).