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

C8H16FNO2S — CID 52914361

IUPAC(Z)-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-BAQGIRSFSA-N
MW209.29 g/mol
LogP0.87
Rot. Bonds5

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

(Z)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine (PubChem CID 52914361) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is (Z)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine
PubChem CID52914361
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name(Z)-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-BAQGIRSFSA-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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Related Compounds

(E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine
CID 19858178
3-Fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine
CID 53998513
3-[(E)-2-methylbut-2-enyl]sulfonylpropan-1-amine
CID 58684118
3-(3-Methylbut-2-enylsulfonyl)propan-1-amine
CID 58684962
3-(2-Methylbut-2-enylsulfonyl)propan-1-amine
CID 72390949
4-(2-Methylprop-2-enylsulfonyl)butan-1-amine
CID 82180362
2-(2-Methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine
CID 103068585
4-Tert-butylsulfonyl-2-methylbut-2-en-1-amine
CID 106735257
(Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine
CID 106735258
(Z)-2-methyl-4-propylsulfonylbut-2-en-1-amine
CID 106735259
2-(Aminomethyl)-3-methanesulfonylprop-1-ene
CID 165785730
2-(Aminomethyl)-3-(ethanesulfonyl)prop-1-ene
CID 165820654

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine (CID 52914361) is (Z)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine?
The canonical SMILES for (Z)-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 (Z)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine?
The InChIKey is KJVPBIGGHUIWOS-BAQGIRSFSA-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 (Z)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine?
(Z)-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 (Z)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 52914361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).