(E)-3-methylsulfanylprop-2-en-1-amine

C4H9NS — CID 55284678

IUPAC(E)-3-methylsulfanylprop-2-en-1-amine
SMILESCS/C=C/CN
InChIInChI=1S/C4H9NS/c1-6-4-2-3-5/h2,4H,3,5H2,1H3/b4-2+
InChIKeyQXWPODUDTHAXAI-DUXPYHPUSA-N
MW103.19 g/mol
LogP0.82
Rot. Bonds2

About (E)-3-methylsulfanylprop-2-en-1-amine

(E)-3-methylsulfanylprop-2-en-1-amine (PubChem CID 55284678) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is (E)-3-methylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-methylsulfanylprop-2-en-1-amine
PubChem CID55284678
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name(E)-3-methylsulfanylprop-2-en-1-amine
SMILESCS/C=C/CN
InChIInChI=1S/C4H9NS/c1-6-4-2-3-5/h2,4H,3,5H2,1H3/b4-2+
InChIKeyQXWPODUDTHAXAI-DUXPYHPUSA-N
XLogP0.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methylsulfanylprop-2-en-1-amine?
The IUPAC name of (E)-3-methylsulfanylprop-2-en-1-amine (CID 55284678) is (E)-3-methylsulfanylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-methylsulfanylprop-2-en-1-amine?
The canonical SMILES for (E)-3-methylsulfanylprop-2-en-1-amine is CS/C=C/CN.
What is the InChIKey of (E)-3-methylsulfanylprop-2-en-1-amine?
The InChIKey is QXWPODUDTHAXAI-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H9NS/c1-6-4-2-3-5/h2,4H,3,5H2,1H3/b4-2+.
What are the key properties of (E)-3-methylsulfanylprop-2-en-1-amine?
(E)-3-methylsulfanylprop-2-en-1-amine has a molecular weight of 103.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 55284678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).