(E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine

C8H16FNO2S — CID 19858178

IUPAC(E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine
SMILESCC(C)CS(=O)(=O)C/C(=C/F)CN
InChIInChI=1S/C8H16FNO2S/c1-7(2)5-13(11,12)6-8(3-9)4-10/h3,7H,4-6,10H2,1-2H3/b8-3+
InChIKeyKJVPBIGGHUIWOS-FPYGCLRLSA-N
MW209.29 g/mol
LogP0.87
Rot. Bonds5

About (E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine

(E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine (PubChem CID 19858178) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is (E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine
PubChem CID19858178
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name(E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine
SMILESCC(C)CS(=O)(=O)C/C(=C/F)CN
InChIInChI=1S/C8H16FNO2S/c1-7(2)5-13(11,12)6-8(3-9)4-10/h3,7H,4-6,10H2,1-2H3/b8-3+
InChIKeyKJVPBIGGHUIWOS-FPYGCLRLSA-N
XLogP0.87
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine (CID 19858178) is (E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine is CC(C)CS(=O)(=O)C/C(=C/F)CN.
What is the InChIKey of (E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine?
The InChIKey is KJVPBIGGHUIWOS-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(2)5-13(11,12)6-8(3-9)4-10/h3,7H,4-6,10H2,1-2H3/b8-3+.
What are the key properties of (E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine?
(E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine has a molecular weight of 209.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 19858178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).