4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide

C12H18N2OS — CID 112656332

IUPAC4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C12H18N2OS/c1-9-8-10(4-5-11(9)13)12(15)14(2)6-7-16-3/h4-5,8H,6-7,13H2,1-3H3
InChIKeyMTHSQQBMFXVTQU-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.01
Rot. Bonds4

About 4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide

4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide (PubChem CID 112656332) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
PubChem CID112656332
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C12H18N2OS/c1-9-8-10(4-5-11(9)13)12(15)14(2)6-7-16-3/h4-5,8H,6-7,13H2,1-3H3
InChIKeyMTHSQQBMFXVTQU-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.01
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

3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656319
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398
3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656301
3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374613
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
2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112658891
N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 112658883

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide (CID 112656332) is 4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide is CSCCN(C)C(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is MTHSQQBMFXVTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-8-10(4-5-11(9)13)12(15)14(2)6-7-16-3/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of 4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide?
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 238.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 112656332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).