N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide

C15H19F3N2OS — CID 119611041

IUPACN-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESNCC1CCCCC1NC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2OS/c16-15(17,18)22-12-7-5-10(6-8-12)14(21)20-13-4-2-1-3-11(13)9-19/h5-8,11,13H,1-4,9,19H2,(H,20,21)
InChIKeyGZWICEOTHYFKGH-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.55
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide

N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 119611041) has the molecular formula C15H19F3N2OS and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID119611041
Molecular FormulaC15H19F3N2OS
Molecular Weight332.39 g/mol
Exact Mass332.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESNCC1CCCCC1NC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2OS/c16-15(17,18)22-12-7-5-10(6-8-12)14(21)20-13-4-2-1-3-11(13)9-19/h5-8,11,13H,1-4,9,19H2,(H,20,21)
InChIKeyGZWICEOTHYFKGH-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 119611820
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119612158
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
CID 119612061
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
N-[2-(aminomethyl)cyclohexyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 119611457
N-[2-(aminomethyl)cyclohexyl]-4-(1,3-dithian-2-yl)benzamide;hydrochloride
CID 119610012
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide
CID 119602533

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide (CID 119611041) is N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide is NCC1CCCCC1NC(=O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is GZWICEOTHYFKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2OS/c16-15(17,18)22-12-7-5-10(6-8-12)14(21)20-13-4-2-1-3-11(13)9-19/h5-8,11,13H,1-4,9,19H2,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide?
N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 332.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 119611041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).