(E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide

C9H10F3N3OS — CID 141491420

IUPAC(E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide
SMILESCC(/C=C/c1cnc(C(F)(F)F)nc1)S(N)=O
InChIInChI=1S/C9H10F3N3OS/c1-6(17(13)16)2-3-7-4-14-8(15-5-7)9(10,11)12/h2-6H,13H2,1H3/b3-2+
InChIKeyJSWYIIBDSDQLRU-NSCUHMNNSA-N
MW265.26 g/mol
LogP1.52
Rot. Bonds3

About (E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide

(E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide (PubChem CID 141491420) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is (E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide.

Molecular Properties

Compound Name(E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide
PubChem CID141491420
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name(E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide
SMILESCC(/C=C/c1cnc(C(F)(F)F)nc1)S(N)=O
InChIInChI=1S/C9H10F3N3OS/c1-6(17(13)16)2-3-7-4-14-8(15-5-7)9(10,11)12/h2-6H,13H2,1H3/b3-2+
InChIKeyJSWYIIBDSDQLRU-NSCUHMNNSA-N
XLogP1.52
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide?
The IUPAC name of (E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide (CID 141491420) is (E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide.
What is the SMILES notation for (E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide?
The canonical SMILES for (E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide is CC(/C=C/c1cnc(C(F)(F)F)nc1)S(N)=O.
What is the InChIKey of (E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide?
The InChIKey is JSWYIIBDSDQLRU-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c1-6(17(13)16)2-3-7-4-14-8(15-5-7)9(10,11)12/h2-6H,13H2,1H3/b3-2+.
What are the key properties of (E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide?
(E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide has a molecular weight of 265.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ene-2-sulfinamide is sourced from PubChem (CID 141491420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).