(E)-4-methylsulfanylbut-3-en-1-amine

C5H11NS — CID 23584008

IUPAC(E)-4-methylsulfanylbut-3-en-1-amine
SMILESCS/C=C/CCN
InChIInChI=1S/C5H11NS/c1-7-5-3-2-4-6/h3,5H,2,4,6H2,1H3/b5-3+
InChIKeyJKNMXLKPIPFUHM-HWKANZROSA-N
MW117.22 g/mol
LogP1.21
Rot. Bonds3

About (E)-4-methylsulfanylbut-3-en-1-amine

(E)-4-methylsulfanylbut-3-en-1-amine (PubChem CID 23584008) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is (E)-4-methylsulfanylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-methylsulfanylbut-3-en-1-amine
PubChem CID23584008
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name(E)-4-methylsulfanylbut-3-en-1-amine
SMILESCS/C=C/CCN
InChIInChI=1S/C5H11NS/c1-7-5-3-2-4-6/h3,5H,2,4,6H2,1H3/b5-3+
InChIKeyJKNMXLKPIPFUHM-HWKANZROSA-N
XLogP1.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methylsulfanylbut-3-en-1-amine?
The IUPAC name of (E)-4-methylsulfanylbut-3-en-1-amine (CID 23584008) is (E)-4-methylsulfanylbut-3-en-1-amine.
What is the SMILES notation for (E)-4-methylsulfanylbut-3-en-1-amine?
The canonical SMILES for (E)-4-methylsulfanylbut-3-en-1-amine is CS/C=C/CCN.
What is the InChIKey of (E)-4-methylsulfanylbut-3-en-1-amine?
The InChIKey is JKNMXLKPIPFUHM-HWKANZROSA-N. The full InChI is InChI=1S/C5H11NS/c1-7-5-3-2-4-6/h3,5H,2,4,6H2,1H3/b5-3+.
What are the key properties of (E)-4-methylsulfanylbut-3-en-1-amine?
(E)-4-methylsulfanylbut-3-en-1-amine has a molecular weight of 117.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylsulfanylbut-3-en-1-amine is sourced from PubChem (CID 23584008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).