2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride

C11H17ClN2OS — CID 119944236

IUPAC2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
SMILESCSCCCNC(=O)c1ccccc1N.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-15-8-4-7-13-11(14)9-5-2-3-6-10(9)12;/h2-3,5-6H,4,7-8,12H2,1H3,(H,13,14);1H
InChIKeyAVGNTAMOBFSGKL-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.17
Rot. Bonds5

About 2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride

2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride (PubChem CID 119944236) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
PubChem CID119944236
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
SMILESCSCCCNC(=O)c1ccccc1N.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-15-8-4-7-13-11(14)9-5-2-3-6-10(9)12;/h2-3,5-6H,4,7-8,12H2,1H3,(H,13,14);1H
InChIKeyAVGNTAMOBFSGKL-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 63957570
2-amino-N-dodecylbenzamide
CID 54099396
2-(4-methylsulfanylbutylcarbamoyl)benzoic acid
CID 113487285
2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 63980673
2-amino-N-(3-methylsulfanylpropyl)-5-nitrobenzamide
CID 63961663
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828
ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
CID 119944593
2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63983038
2-amino-N-(4-pyridin-4-ylsulfanylbutyl)benzamide;dihydrochloride
CID 19079248
2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride (CID 119944236) is 2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride is CSCCCNC(=O)c1ccccc1N.Cl.
What is the InChIKey of 2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride?
The InChIKey is AVGNTAMOBFSGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c1-15-8-4-7-13-11(14)9-5-2-3-6-10(9)12;/h2-3,5-6H,4,7-8,12H2,1H3,(H,13,14);1H.
What are the key properties of 2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride?
2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119944236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).