2-methyl-3-methylsulfanylprop-1-en-1-amine

C5H11NS — CID 142046548

IUPAC2-methyl-3-methylsulfanylprop-1-en-1-amine
SMILESCSCC(C)=CN
InChIInChI=1S/C5H11NS/c1-5(3-6)4-7-2/h3H,4,6H2,1-2H3
InChIKeyKWWWXDKYMSIHOP-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.21
Rot. Bonds2

About 2-methyl-3-methylsulfanylprop-1-en-1-amine

2-methyl-3-methylsulfanylprop-1-en-1-amine (PubChem CID 142046548) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanylprop-1-en-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanylprop-1-en-1-amine
PubChem CID142046548
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2-methyl-3-methylsulfanylprop-1-en-1-amine
SMILESCSCC(C)=CN
InChIInChI=1S/C5H11NS/c1-5(3-6)4-7-2/h3H,4,6H2,1-2H3
InChIKeyKWWWXDKYMSIHOP-UHFFFAOYSA-N
XLogP1.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 2-methyl-3-methylsulfanylprop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanylprop-1-en-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanylprop-1-en-1-amine (CID 142046548) is 2-methyl-3-methylsulfanylprop-1-en-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanylprop-1-en-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanylprop-1-en-1-amine is CSCC(C)=CN.
What is the InChIKey of 2-methyl-3-methylsulfanylprop-1-en-1-amine?
The InChIKey is KWWWXDKYMSIHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-5(3-6)4-7-2/h3H,4,6H2,1-2H3.
What are the key properties of 2-methyl-3-methylsulfanylprop-1-en-1-amine?
2-methyl-3-methylsulfanylprop-1-en-1-amine has a molecular weight of 117.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanylprop-1-en-1-amine is sourced from PubChem (CID 142046548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).