1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine

C14H18F3NO2S — CID 64646667

IUPAC1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
SMILESCCNC(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H18F3NO2S/c1-2-18-13(10-6-7-10)9-21(19,20)12-5-3-4-11(8-12)14(15,16)17/h3-5,8,10,13,18H,2,6-7,9H2,1H3
InChIKeyLIBCLGRSCMINSA-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.87
Rot. Bonds6

About 1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine

1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine (PubChem CID 64646667) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
PubChem CID64646667
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC Name1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
SMILESCCNC(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H18F3NO2S/c1-2-18-13(10-6-7-10)9-21(19,20)12-5-3-4-11(8-12)14(15,16)17/h3-5,8,10,13,18H,2,6-7,9H2,1H3
InChIKeyLIBCLGRSCMINSA-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55201481
3-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidine
CID 68523927
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
CID 64646267
3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol
CID 71977096
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 107508914
N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65412962
N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
CID 64722840
2-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane
CID 115474691
N-[3-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115850632
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
1-[3-(trifluoromethyl)phenyl]sulfonylpentan-2-one
CID 64643363

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine (CID 64646667) is 1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine is CCNC(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine?
The InChIKey is LIBCLGRSCMINSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c1-2-18-13(10-6-7-10)9-21(19,20)12-5-3-4-11(8-12)14(15,16)17/h3-5,8,10,13,18H,2,6-7,9H2,1H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine?
1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine has a molecular weight of 321.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine is sourced from PubChem (CID 64646667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).