2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile

C10H14N4O2S — CID 3813192

IUPAC2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile
SMILESCN(C)C=C(C#N)S(=O)(=O)C(C#N)=CN(C)C
InChIInChI=1S/C10H14N4O2S/c1-13(2)7-9(5-11)17(15,16)10(6-12)8-14(3)4/h7-8H,1-4H3
InChIKeyQFLHFTZMKWGBAF-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.25
Rot. Bonds4

About 2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile

2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile (PubChem CID 3813192) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile.

Molecular Properties

Compound Name2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile
PubChem CID3813192
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile
SMILESCN(C)C=C(C#N)S(=O)(=O)C(C#N)=CN(C)C
InChIInChI=1S/C10H14N4O2S/c1-13(2)7-9(5-11)17(15,16)10(6-12)8-14(3)4/h7-8H,1-4H3
InChIKeyQFLHFTZMKWGBAF-UHFFFAOYSA-N
XLogP0.25
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-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 2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile?
The IUPAC name of 2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile (CID 3813192) is 2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile.
What is the SMILES notation for 2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile?
The canonical SMILES for 2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile is CN(C)C=C(C#N)S(=O)(=O)C(C#N)=CN(C)C.
What is the InChIKey of 2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile?
The InChIKey is QFLHFTZMKWGBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-13(2)7-9(5-11)17(15,16)10(6-12)8-14(3)4/h7-8H,1-4H3.
What are the key properties of 2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile?
2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile has a molecular weight of 254.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile is sourced from PubChem (CID 3813192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).