N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide

C14H20N2OS — CID 119614910

IUPACN-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NC(CN)C2CC2)c1
InChIInChI=1S/C14H20N2OS/c1-9-3-6-11(18-2)7-12(9)14(17)16-13(8-15)10-4-5-10/h3,6-7,10,13H,4-5,8,15H2,1-2H3,(H,16,17)
InChIKeyQZAQKCHYSJEUDL-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.18
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide

N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide (PubChem CID 119614910) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide
PubChem CID119614910
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NC(CN)C2CC2)c1
InChIInChI=1S/C14H20N2OS/c1-9-3-6-11(18-2)7-12(9)14(17)16-13(8-15)10-4-5-10/h3,6-7,10,13H,4-5,8,15H2,1-2H3,(H,16,17)
InChIKeyQZAQKCHYSJEUDL-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
N-(2-amino-1-cyclopropylethyl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119613306
N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
CID 119614072
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
CID 106737308
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119613251
N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119614141
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119614679
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclopropylethyl)-4-methylthiophene-3-carboxamide;hydrochloride
CID 119613848

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide (CID 119614910) is N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide is CSc1ccc(C)c(C(=O)NC(CN)C2CC2)c1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is QZAQKCHYSJEUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9-3-6-11(18-2)7-12(9)14(17)16-13(8-15)10-4-5-10/h3,6-7,10,13H,4-5,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide?
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 264.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 119614910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).