(Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine

C12H16F2N2O3S — CID 134166753

IUPAC(Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine
SMILESCCS(=O)(=O)/C=C(\N)c1ccc(OCC(C)(F)F)cn1
InChIInChI=1S/C12H16F2N2O3S/c1-3-20(17,18)7-10(15)11-5-4-9(6-16-11)19-8-12(2,13)14/h4-7H,3,8,15H2,1-2H3/b10-7-
InChIKeyYOHBVRSZFDYJFR-YFHOEESVSA-N
MW306.33 g/mol
LogP1.81
Rot. Bonds6

About (Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine

(Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine (PubChem CID 134166753) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is (Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine.

Molecular Properties

Compound Name(Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine
PubChem CID134166753
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name(Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine
SMILESCCS(=O)(=O)/C=C(\N)c1ccc(OCC(C)(F)F)cn1
InChIInChI=1S/C12H16F2N2O3S/c1-3-20(17,18)7-10(15)11-5-4-9(6-16-11)19-8-12(2,13)14/h4-7H,3,8,15H2,1-2H3/b10-7-
InChIKeyYOHBVRSZFDYJFR-YFHOEESVSA-N
XLogP1.81
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine?
The IUPAC name of (Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine (CID 134166753) is (Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine.
What is the SMILES notation for (Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine?
The canonical SMILES for (Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine is CCS(=O)(=O)/C=C(\N)c1ccc(OCC(C)(F)F)cn1.
What is the InChIKey of (Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine?
The InChIKey is YOHBVRSZFDYJFR-YFHOEESVSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-3-20(17,18)7-10(15)11-5-4-9(6-16-11)19-8-12(2,13)14/h4-7H,3,8,15H2,1-2H3/b10-7-.
What are the key properties of (Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine?
(Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine has a molecular weight of 306.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine is sourced from PubChem (CID 134166753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).