N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine

C14H18F3NO2S — CID 64722840

IUPACN-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO2S/c1-2-18-11-6-7-13(9-11)21(19,20)12-5-3-4-10(8-12)14(15,16)17/h3-5,8,11,13,18H,2,6-7,9H2,1H3
InChIKeyAWOXKKWHQVQFPX-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.01
Rot. Bonds4

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

N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine (PubChem CID 64722840) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
PubChem CID64722840
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC NameN-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO2S/c1-2-18-11-6-7-13(9-11)21(19,20)12-5-3-4-10(8-12)14(15,16)17/h3-5,8,11,13,18H,2,6-7,9H2,1H3
InChIKeyAWOXKKWHQVQFPX-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine
CID 64722834
4,4-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]pentan-2-one
CID 160564942
N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine
CID 64716512
ethyl 4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxylate
CID 123587350
[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
CID 67054689
1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene
CID 67054918
3-(benzenesulfonyl)-N-propylcyclopentan-1-amine
CID 64722832
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64724868
1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
CID 64646667
4-chloro-2-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]benzamide
CID 51041139
3-tert-butylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]thiophene-2-carboxamide
CID 51041138

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine (CID 64722840) is N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine is CCNC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine?
The InChIKey is AWOXKKWHQVQFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c1-2-18-11-6-7-13(9-11)21(19,20)12-5-3-4-10(8-12)14(15,16)17/h3-5,8,11,13,18H,2,6-7,9H2,1H3.
What are the key properties of N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine?
N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine has a molecular weight of 321.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine is sourced from PubChem (CID 64722840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).