(E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine

C5H12N2S — CID 118012035

IUPAC(E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine
SMILESCSC/C(=C/N)CN
InChIInChI=1S/C5H12N2S/c1-8-4-5(2-6)3-7/h2H,3-4,6-7H2,1H3/b5-2+
InChIKeyYNARFFYYYKKMGS-GORDUTHDSA-N
MW132.23 g/mol
LogP0.15
Rot. Bonds3

About (E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine

(E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine (PubChem CID 118012035) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is (E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine
PubChem CID118012035
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name(E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine
SMILESCSC/C(=C/N)CN
InChIInChI=1S/C5H12N2S/c1-8-4-5(2-6)3-7/h2H,3-4,6-7H2,1H3/b5-2+
InChIKeyYNARFFYYYKKMGS-GORDUTHDSA-N
XLogP0.15
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine?
The IUPAC name of (E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine (CID 118012035) is (E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine?
The canonical SMILES for (E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine is CSC/C(=C/N)CN.
What is the InChIKey of (E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine?
The InChIKey is YNARFFYYYKKMGS-GORDUTHDSA-N. The full InChI is InChI=1S/C5H12N2S/c1-8-4-5(2-6)3-7/h2H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of (E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine?
(E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine has a molecular weight of 132.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(methylsulfanylmethyl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 118012035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).