3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C14H18ClF3N2OS — CID 119706959

IUPAC3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccccc2SC(F)(F)F)C1
InChIInChI=1S/C14H17F3N2OS.ClH/c15-14(16,17)21-12-7-2-1-6-11(12)19-13(20)9-4-3-5-10(18)8-9;/h1-2,6-7,9-10H,3-5,8,18H2,(H,19,20);1H
InChIKeyZJMDPMIHDVJWIJ-UHFFFAOYSA-N
MW354.83 g/mol
LogP4.18
Rot. Bonds3

About 3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119706959) has the molecular formula C14H18ClF3N2OS and a molecular weight of 354.83 g/mol. Its IUPAC name is 3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119706959
Molecular FormulaC14H18ClF3N2OS
Molecular Weight354.83 g/mol
Exact Mass354.08
IUPAC Name3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccccc2SC(F)(F)F)C1
InChIInChI=1S/C14H17F3N2OS.ClH/c15-14(16,17)21-12-7-2-1-6-11(12)19-13(20)9-4-3-5-10(18)8-9;/h1-2,6-7,9-10H,3-5,8,18H2,(H,19,20);1H
InChIKeyZJMDPMIHDVJWIJ-UHFFFAOYSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43700489
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
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3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride
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3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide
CID 66239424
3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride
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(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 104912846

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119706959) is 3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2ccccc2SC(F)(F)F)C1.
What is the InChIKey of 3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ZJMDPMIHDVJWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS.ClH/c15-14(16,17)21-12-7-2-1-6-11(12)19-13(20)9-4-3-5-10(18)8-9;/h1-2,6-7,9-10H,3-5,8,18H2,(H,19,20);1H.
What are the key properties of 3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 354.83 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119706959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).