3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide

C14H22N2OS — CID 112656391

IUPAC3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H22N2OS/c1-5-12(9-18-4)16(3)14(17)11-7-6-10(2)13(15)8-11/h6-8,12H,5,9,15H2,1-4H3
InChIKeyNNCFRYPZFNMGNL-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.79
Rot. Bonds5

About 3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide

3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide (PubChem CID 112656391) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
PubChem CID112656391
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H22N2OS/c1-5-12(9-18-4)16(3)14(17)11-7-6-10(2)13(15)8-11/h6-8,12H,5,9,15H2,1-4H3
InChIKeyNNCFRYPZFNMGNL-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.79
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-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43570555
3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112701900
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 102705866
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112664138
4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659645
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
CID 107034211
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619
3-hydroxy-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43571474
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 112659261
3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 79466930
4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 103956399

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide (CID 112656391) is 3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide is CCC(CSC)N(C)C(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is NNCFRYPZFNMGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-5-12(9-18-4)16(3)14(17)11-7-6-10(2)13(15)8-11/h6-8,12H,5,9,15H2,1-4H3.
What are the key properties of 3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 266.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 112656391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).