1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine

C12H14F3NO2S — CID 106584748

IUPAC1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine
SMILESNC(CS(=O)(=O)c1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)9-3-1-2-4-11(9)19(17,18)7-10(16)8-5-6-8/h1-4,8,10H,5-7,16H2
InChIKeyBZRGOQFCHADDGU-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.22
Rot. Bonds4

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

1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine (PubChem CID 106584748) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine
PubChem CID106584748
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine
SMILESNC(CS(=O)(=O)c1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)9-3-1-2-4-11(9)19(17,18)7-10(16)8-5-6-8/h1-4,8,10H,5-7,16H2
InChIKeyBZRGOQFCHADDGU-UHFFFAOYSA-N
XLogP2.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine?
The IUPAC name of 1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine (CID 106584748) is 1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine?
The canonical SMILES for 1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine is NC(CS(=O)(=O)c1ccccc1C(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine?
The InChIKey is BZRGOQFCHADDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c13-12(14,15)9-3-1-2-4-11(9)19(17,18)7-10(16)8-5-6-8/h1-4,8,10H,5-7,16H2.
What are the key properties of 1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine?
1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine has a molecular weight of 293.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine is sourced from PubChem (CID 106584748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).