N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C13H18F3N3O2S — CID 120711162

IUPACN-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESNCC1CCCCC1NS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H18F3N3O2S/c14-13(15,16)12-6-5-10(8-18-12)22(20,21)19-11-4-2-1-3-9(11)7-17/h5-6,8-9,11,19H,1-4,7,17H2
InChIKeyWMROGIWHUGPEGP-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.90
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 120711162) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID120711162
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESNCC1CCCCC1NS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H18F3N3O2S/c14-13(15,16)12-6-5-10(8-18-12)22(20,21)19-11-4-2-1-3-9(11)7-17/h5-6,8-9,11,19H,1-4,7,17H2
InChIKeyWMROGIWHUGPEGP-UHFFFAOYSA-N
XLogP1.90
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid
CID 167746137
N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119986055
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide
CID 97056156
N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119985851
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzenesulfonamide
CID 119986443
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072
6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-3-sulfonamide
CID 62152931
N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119985718
N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide
CID 62955865
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 119985898
N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 119986408

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 120711162) is N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is NCC1CCCCC1NS(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is WMROGIWHUGPEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c14-13(15,16)12-6-5-10(8-18-12)22(20,21)19-11-4-2-1-3-9(11)7-17/h5-6,8-9,11,19H,1-4,7,17H2.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 337.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 120711162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).