2-methyl-1-methylsulfanylprop-1-en-1-amine

C5H11NS — CID 130456062

IUPAC2-methyl-1-methylsulfanylprop-1-en-1-amine
SMILESCSC(N)=C(C)C
InChIInChI=1S/C5H11NS/c1-4(2)5(6)7-3/h6H2,1-3H3
InChIKeyQJYJWXBNLZQFOZ-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.56
Rot. Bonds1

About 2-methyl-1-methylsulfanylprop-1-en-1-amine

2-methyl-1-methylsulfanylprop-1-en-1-amine (PubChem CID 130456062) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanylprop-1-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-methylsulfanylprop-1-en-1-amine
PubChem CID130456062
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2-methyl-1-methylsulfanylprop-1-en-1-amine
SMILESCSC(N)=C(C)C
InChIInChI=1S/C5H11NS/c1-4(2)5(6)7-3/h6H2,1-3H3
InChIKeyQJYJWXBNLZQFOZ-UHFFFAOYSA-N
XLogP1.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanylprop-1-en-1-amine?
The IUPAC name of 2-methyl-1-methylsulfanylprop-1-en-1-amine (CID 130456062) is 2-methyl-1-methylsulfanylprop-1-en-1-amine.
What is the SMILES notation for 2-methyl-1-methylsulfanylprop-1-en-1-amine?
The canonical SMILES for 2-methyl-1-methylsulfanylprop-1-en-1-amine is CSC(N)=C(C)C.
What is the InChIKey of 2-methyl-1-methylsulfanylprop-1-en-1-amine?
The InChIKey is QJYJWXBNLZQFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-4(2)5(6)7-3/h6H2,1-3H3.
What are the key properties of 2-methyl-1-methylsulfanylprop-1-en-1-amine?
2-methyl-1-methylsulfanylprop-1-en-1-amine has a molecular weight of 117.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanylprop-1-en-1-amine is sourced from PubChem (CID 130456062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).