(E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine

C6H11NS — CID 166885204

IUPAC(E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine
SMILESC=CS/C(C)=C/NC
InChIInChI=1S/C6H11NS/c1-4-8-6(2)5-7-3/h4-5,7H,1H2,2-3H3/b6-5+
InChIKeyZPVWFQKREYQRRH-AATRIKPKSA-N
MW129.23 g/mol
LogP1.94
Rot. Bonds3

About (E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine

(E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine (PubChem CID 166885204) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine
PubChem CID166885204
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine
SMILESC=CS/C(C)=C/NC
InChIInChI=1S/C6H11NS/c1-4-8-6(2)5-7-3/h4-5,7H,1H2,2-3H3/b6-5+
InChIKeyZPVWFQKREYQRRH-AATRIKPKSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-2-ethenylsulfanyl-N-methylprop-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

Related Compounds

2-Methyl-5,6-dihydro-4H-1,4-thiazin
CID 55287760
4,7-Dihydro-1,4-thiazepine
CID 23574548
N-methyl-2-methylsulfanylethenamine
CID 57818233
(Z)-N-methyl-2-methylsulfanylethenamine
CID 59786643
N-methyl-2-prop-1-enylsulfanylethenamine
CID 60070941
5-Methyl-2,3-dihydro-1,3-thiazole
CID 66635537
2-methyl-4H-1,4-thiazine
CID 68219736
(Z)-2-ethenylsulfanylprop-1-en-1-amine
CID 88284094
(Z)-2-prop-1-en-2-ylsulfanylethenamine
CID 88290997
N-methyl-2-methylsulfanylprop-2-en-1-amine
CID 88989340
2,5-Dimethyl-2,3-dihydro-1,3-thiazole
CID 89076192
(Z)-2-[[(Z)-prop-1-enyl]amino]ethenethiol
CID 89468774

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine?
The IUPAC name of (E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine (CID 166885204) is (E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine.
What is the SMILES notation for (E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine?
The canonical SMILES for (E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine is C=CS/C(C)=C/NC.
What is the InChIKey of (E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine?
The InChIKey is ZPVWFQKREYQRRH-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-8-6(2)5-7-3/h4-5,7H,1H2,2-3H3/b6-5+.
What are the key properties of (E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine?
(E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine has a molecular weight of 129.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenylsulfanyl-N-methylprop-1-en-1-amine is sourced from PubChem (CID 166885204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).