(E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine

C14H19FN2O3S — CID 137468637

IUPAC(E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine
SMILESNC/C=C(/F)COc1ccc(S(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H19FN2O3S/c15-12(5-6-16)11-20-13-1-3-14(4-2-13)21(18)17-7-9-19-10-8-17/h1-5H,6-11,16H2/b12-5+
InChIKeyROOPJBHGPDKYMC-LFYBBSHMSA-N
MW314.38 g/mol
LogP1.23
Rot. Bonds6

About (E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine

(E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine (PubChem CID 137468637) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is (E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine
PubChem CID137468637
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name(E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine
SMILESNC/C=C(/F)COc1ccc(S(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H19FN2O3S/c15-12(5-6-16)11-20-13-1-3-14(4-2-13)21(18)17-7-9-19-10-8-17/h1-5H,6-11,16H2/b12-5+
InChIKeyROOPJBHGPDKYMC-LFYBBSHMSA-N
XLogP1.23
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-morpholin-4-ylsulfinylaniline
CID 82473587
4-(4-amino-2-fluorobut-2-enoxy)benzonitrile;hydrochloride
CID 68773002
4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide
CID 42623361
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone
CID 117097700
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799
2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
CID 46736007
2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide
CID 169365684
4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 146427574
2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid
CID 63770992
morpholin-4-yl 4-aminobenzenesulfinate
CID 143384955

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine (CID 137468637) is (E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine is NC/C=C(/F)COc1ccc(S(=O)N2CCOCC2)cc1.
What is the InChIKey of (E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine?
The InChIKey is ROOPJBHGPDKYMC-LFYBBSHMSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c15-12(5-6-16)11-20-13-1-3-14(4-2-13)21(18)17-7-9-19-10-8-17/h1-5H,6-11,16H2/b12-5+.
What are the key properties of (E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine?
(E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine has a molecular weight of 314.38 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine is sourced from PubChem (CID 137468637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).