(Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine

C5H12N2S — CID 145277623

IUPAC(Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine
SMILESCN/C=C(/CN)SC
InChIInChI=1S/C5H12N2S/c1-7-4-5(3-6)8-2/h4,7H,3,6H2,1-2H3/b5-4-
InChIKeyFVQRQQYHQVADEA-PLNGDYQASA-N
MW132.23 g/mol
LogP0.37
Rot. Bonds3

About (Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine

(Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine (PubChem CID 145277623) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is (Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine
PubChem CID145277623
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name(Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine
SMILESCN/C=C(/CN)SC
InChIInChI=1S/C5H12N2S/c1-7-4-5(3-6)8-2/h4,7H,3,6H2,1-2H3/b5-4-
InChIKeyFVQRQQYHQVADEA-PLNGDYQASA-N
XLogP0.37
TPSA38.05 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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(Z)-N-[(2R)-butan-2-yl]-2-propan-2-ylprop-1-ene-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine (CID 145277623) is (Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine is CN/C=C(/CN)SC.
What is the InChIKey of (Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine?
The InChIKey is FVQRQQYHQVADEA-PLNGDYQASA-N. The full InChI is InChI=1S/C5H12N2S/c1-7-4-5(3-6)8-2/h4,7H,3,6H2,1-2H3/b5-4-.
What are the key properties of (Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine?
(Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine has a molecular weight of 132.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine is sourced from PubChem (CID 145277623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).