2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine

C12H14F3NO2S — CID 64644682

IUPAC2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
SMILESNC1CCCC1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)8-3-1-4-9(7-8)19(17,18)11-6-2-5-10(11)16/h1,3-4,7,10-11H,2,5-6,16H2
InChIKeyYKBWGEUXDPOLEJ-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.36
Rot. Bonds2

About 2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine

2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine (PubChem CID 64644682) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
PubChem CID64644682
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
SMILESNC1CCCC1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)8-3-1-4-9(7-8)19(17,18)11-6-2-5-10(11)16/h1,3-4,7,10-11H,2,5-6,16H2
InChIKeyYKBWGEUXDPOLEJ-UHFFFAOYSA-N
XLogP2.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine
CID 64646463
2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 3253254
(3aR,4S,6aS)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 66590521
(6aS)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 67414284
[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
CID 67054689
CID 70262336
CID 70262336
3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
CID 107070709
N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119986055
1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene
CID 67054918
methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium
CID 59280550
potassium [3-(trifluoromethyl)phenyl]sulfonylazanide
CID 131721326
[4-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 71959259

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine (CID 64644682) is 2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine is NC1CCCC1S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine?
The InChIKey is YKBWGEUXDPOLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c13-12(14,15)8-3-1-4-9(7-8)19(17,18)11-6-2-5-10(11)16/h1,3-4,7,10-11H,2,5-6,16H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine?
2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine has a molecular weight of 293.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine is sourced from PubChem (CID 64644682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).