N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride

C13H19ClN2OS — CID 119614072

IUPACN-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
SMILESCSc1ccccc1C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-17-12-5-3-2-4-10(12)13(16)15-11(8-14)9-6-7-9;/h2-5,9,11H,6-8,14H2,1H3,(H,15,16);1H
InChIKeyIXGKETXFQBLFEF-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.30
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride (PubChem CID 119614072) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
PubChem CID119614072
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
SMILESCSc1ccccc1C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-17-12-5-3-2-4-10(12)13(16)15-11(8-14)9-6-7-9;/h2-5,9,11H,6-8,14H2,1H3,(H,15,16);1H
InChIKeyIXGKETXFQBLFEF-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119616625
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N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride
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N-(2-amino-1-cyclohexylethyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide;hydrochloride
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N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride (CID 119614072) is N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride is CSc1ccccc1C(=O)NC(CN)C1CC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride?
The InChIKey is IXGKETXFQBLFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS.ClH/c1-17-12-5-3-2-4-10(12)13(16)15-11(8-14)9-6-7-9;/h2-5,9,11H,6-8,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride has a molecular weight of 286.83 g/mol, XLogP of 2.30, 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-methylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119614072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).