3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile

C6H10N2S — CID 68605084

IUPAC3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile
SMILESCSC(=CC#N)N(C)C
InChIInChI=1S/C6H10N2S/c1-8(2)6(9-3)4-5-7/h4H,1-3H3
InChIKeyFJVJNGPIUYFXKM-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.28
Rot. Bonds2

About 3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile

3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile (PubChem CID 68605084) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile.

Molecular Properties

Compound Name3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile
PubChem CID68605084
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile
SMILESCSC(=CC#N)N(C)C
InChIInChI=1S/C6H10N2S/c1-8(2)6(9-3)4-5-7/h4H,1-3H3
InChIKeyFJVJNGPIUYFXKM-UHFFFAOYSA-N
XLogP1.28
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile 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 3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile?
The IUPAC name of 3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile (CID 68605084) is 3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile.
What is the SMILES notation for 3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile?
The canonical SMILES for 3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile is CSC(=CC#N)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile?
The InChIKey is FJVJNGPIUYFXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-8(2)6(9-3)4-5-7/h4H,1-3H3.
What are the key properties of 3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile?
3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile has a molecular weight of 142.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methylsulfanylprop-2-enenitrile is sourced from PubChem (CID 68605084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).