N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine

C14H18F3NO2S — CID 106584789

IUPACN-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2S/c1-18-11-7-3-5-9-13(11)21(19,20)12-8-4-2-6-10(12)14(15,16)17/h2,4,6,8,11,13,18H,3,5,7,9H2,1H3
InChIKeyZSRHBIAISDKOPZ-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.01
Rot. Bonds3

About N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine

N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine (PubChem CID 106584789) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine
PubChem CID106584789
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC NameN-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2S/c1-18-11-7-3-5-9-13(11)21(19,20)12-8-4-2-6-10(12)14(15,16)17/h2,4,6,8,11,13,18H,3,5,7,9H2,1H3
InChIKeyZSRHBIAISDKOPZ-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfonyl-N-methylcycloheptan-1-amine
CID 64645152
2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638401
2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol
CID 106585400
2-(2-bromophenyl)sulfonyl-N-methylcyclooctan-1-amine
CID 64647628
2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine
CID 64674288
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104953174
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64645052
2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64639422
(2R)-2-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 71108110
N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119980070
2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638589

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine (CID 106584789) is N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine is CNC1CCCCC1S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine?
The InChIKey is ZSRHBIAISDKOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c1-18-11-7-3-5-9-13(11)21(19,20)12-8-4-2-6-10(12)14(15,16)17/h2,4,6,8,11,13,18H,3,5,7,9H2,1H3.
What are the key properties of N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine?
N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine has a molecular weight of 321.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine is sourced from PubChem (CID 106584789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).