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

C15H23ClN2OS — CID 119945965

IUPAC2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride
SMILESCCSC1CCCC(NC(=O)c2ccccc2N)C1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-2-19-12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)16;/h3-4,8-9,11-12H,2,5-7,10,16H2,1H3,(H,17,18);1H
InChIKeyDNLTVQMEDZMTPV-UHFFFAOYSA-N
MW314.88 g/mol
LogP3.48
Rot. Bonds4

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

2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride (PubChem CID 119945965) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride
PubChem CID119945965
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride
SMILESCCSC1CCCC(NC(=O)c2ccccc2N)C1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-2-19-12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)16;/h3-4,8-9,11-12H,2,5-7,10,16H2,1H3,(H,17,18);1H
InChIKeyDNLTVQMEDZMTPV-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
CID 119945966
2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 120611790
2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride
CID 119947270
N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709498
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 106544630
2-amino-N-(3-ethylsulfanylcyclohexyl)acetamide;hydrochloride
CID 119343755
3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide
CID 112575980
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 107329607
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111751211

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride (CID 119945965) is 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride is CCSC1CCCC(NC(=O)c2ccccc2N)C1.Cl.
What is the InChIKey of 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride?
The InChIKey is DNLTVQMEDZMTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c1-2-19-12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)16;/h3-4,8-9,11-12H,2,5-7,10,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride?
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride is sourced from PubChem (CID 119945965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).