(Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine

C5H10FNO2S — CID 162481050

IUPAC(Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine
SMILESCS(=O)(=O)C/C(F)=C/CN
InChIInChI=1S/C5H10FNO2S/c1-10(8,9)4-5(6)2-3-7/h2H,3-4,7H2,1H3/b5-2-
InChIKeyVBWNDGZQUKOFBW-DJWKRKHSSA-N
MW167.20 g/mol
LogP-0.16
Rot. Bonds3

About (Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine

(Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine (PubChem CID 162481050) has the molecular formula C5H10FNO2S and a molecular weight of 167.20 g/mol. Its IUPAC name is (Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine
PubChem CID162481050
Molecular FormulaC5H10FNO2S
Molecular Weight167.20 g/mol
Exact Mass167.04
IUPAC Name(Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine
SMILESCS(=O)(=O)C/C(F)=C/CN
InChIInChI=1S/C5H10FNO2S/c1-10(8,9)4-5(6)2-3-7/h2H,3-4,7H2,1H3/b5-2-
InChIKeyVBWNDGZQUKOFBW-DJWKRKHSSA-N
XLogP-0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine (CID 162481050) is (Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine is CS(=O)(=O)C/C(F)=C/CN.
What is the InChIKey of (Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine?
The InChIKey is VBWNDGZQUKOFBW-DJWKRKHSSA-N. The full InChI is InChI=1S/C5H10FNO2S/c1-10(8,9)4-5(6)2-3-7/h2H,3-4,7H2,1H3/b5-2-.
What are the key properties of (Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine?
(Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine has a molecular weight of 167.20 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine is sourced from PubChem (CID 162481050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).