4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide

C14H23N3OS — CID 112657121

IUPAC4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide
SMILESCSCC(C)N(C)c1cc(N)ccc1C(=O)N(C)C
InChIInChI=1S/C14H23N3OS/c1-10(9-19-5)17(4)13-8-11(15)6-7-12(13)14(18)16(2)3/h6-8,10H,9,15H2,1-5H3
InChIKeyUTEYYYFYUGCJGS-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.16
Rot. Bonds5

About 4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide

4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide (PubChem CID 112657121) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide
PubChem CID112657121
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide
SMILESCSCC(C)N(C)c1cc(N)ccc1C(=O)N(C)C
InChIInChI=1S/C14H23N3OS/c1-10(9-19-5)17(4)13-8-11(15)6-7-12(13)14(18)16(2)3/h6-8,10H,9,15H2,1-5H3
InChIKeyUTEYYYFYUGCJGS-UHFFFAOYSA-N
XLogP2.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide
CID 104551127
4-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]benzoic acid
CID 112663498
4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657072
2-(5-amino-N,2-dimethylanilino)propan-1-ol
CID 104551168
2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656503
ethyl 5-amino-2-[1-hydroxypropan-2-yl(methyl)amino]benzoate
CID 104553683
4-methoxy-1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657045
4-amino-N-butan-2-yl-2-chloro-N-methylbenzamide;hydrochloride
CID 119737738
5-amino-N,N-dimethyl-2-(methylamino)benzamide
CID 71669096
2,4-diamino-N-methyl-N-pentan-3-ylbenzamide
CID 61093478
[1-oxo-1-(propylamino)propan-2-yl] 5-amino-2-(dimethylamino)benzoate
CID 61320669
methyl 3-amino-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzoate
CID 112663527

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide (CID 112657121) is 4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide is CSCC(C)N(C)c1cc(N)ccc1C(=O)N(C)C.
What is the InChIKey of 4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide?
The InChIKey is UTEYYYFYUGCJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10(9-19-5)17(4)13-8-11(15)6-7-12(13)14(18)16(2)3/h6-8,10H,9,15H2,1-5H3.
What are the key properties of 4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide?
4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide has a molecular weight of 281.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzamide is sourced from PubChem (CID 112657121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).