2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine

C15H18F3NO3S — CID 133473451

IUPAC2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine
SMILESO=S(=O)(c1ccccc1NC1CCOC(C2CC2)C1)C(F)(F)F
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)23(20,21)14-4-2-1-3-12(14)19-11-7-8-22-13(9-11)10-5-6-10/h1-4,10-11,13,19H,5-9H2
InChIKeySSFLIGABLHYNPI-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.35
Rot. Bonds4

About 2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine

2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine (PubChem CID 133473451) has the molecular formula C15H18F3NO3S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine
PubChem CID133473451
Molecular FormulaC15H18F3NO3S
Molecular Weight349.37 g/mol
Exact Mass349.10
IUPAC Name2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine
SMILESO=S(=O)(c1ccccc1NC1CCOC(C2CC2)C1)C(F)(F)F
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)23(20,21)14-4-2-1-3-12(14)19-11-7-8-22-13(9-11)10-5-6-10/h1-4,10-11,13,19H,5-9H2
InChIKeySSFLIGABLHYNPI-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine?
The IUPAC name of 2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine (CID 133473451) is 2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine is O=S(=O)(c1ccccc1NC1CCOC(C2CC2)C1)C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine?
The InChIKey is SSFLIGABLHYNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3S/c16-15(17,18)23(20,21)14-4-2-1-3-12(14)19-11-7-8-22-13(9-11)10-5-6-10/h1-4,10-11,13,19H,5-9H2.
What are the key properties of 2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine?
2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine has a molecular weight of 349.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine is sourced from PubChem (CID 133473451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).