(E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine

C5H12N2S — CID 130317061

IUPAC(E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine
SMILESCN/C(C)=C(\N)SC
InChIInChI=1S/C5H12N2S/c1-4(7-2)5(6)8-3/h7H,6H2,1-3H3/b5-4+
InChIKeyWFQSZAFFNMQINE-SNAWJCMRSA-N
MW132.23 g/mol
LogP0.72
Rot. Bonds2

About (E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine

(E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine (PubChem CID 130317061) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is (E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine
PubChem CID130317061
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name(E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine
SMILESCN/C(C)=C(\N)SC
InChIInChI=1S/C5H12N2S/c1-4(7-2)5(6)8-3/h7H,6H2,1-3H3/b5-4+
InChIKeyWFQSZAFFNMQINE-SNAWJCMRSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine?
The IUPAC name of (E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine (CID 130317061) is (E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine is CN/C(C)=C(\N)SC.
What is the InChIKey of (E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine?
The InChIKey is WFQSZAFFNMQINE-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H12N2S/c1-4(7-2)5(6)8-3/h7H,6H2,1-3H3/b5-4+.
What are the key properties of (E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine?
(E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine has a molecular weight of 132.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine is sourced from PubChem (CID 130317061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).