(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile

C6H10N2O2S — CID 1488225

IUPAC(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile
SMILESCN(C)/C=C(/C#N)S(C)(=O)=O
InChIInChI=1S/C6H10N2O2S/c1-8(2)5-6(4-7)11(3,9)10/h5H,1-3H3/b6-5-
InChIKeyYGCYQSVPXXQVCC-WAYWQWQTSA-N
MW174.22 g/mol
LogP-0.04
Rot. Bonds2

About (Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile

(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile (PubChem CID 1488225) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile
PubChem CID1488225
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile
SMILESCN(C)/C=C(/C#N)S(C)(=O)=O
InChIInChI=1S/C6H10N2O2S/c1-8(2)5-6(4-7)11(3,9)10/h5H,1-3H3/b6-5-
InChIKeyYGCYQSVPXXQVCC-WAYWQWQTSA-N
XLogP-0.04
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-(dimethylamino)-2-methanesulfonylprop-2-enenitrile
CID 1488224
(E)-2-tert-butylsulfonyl-3-(dimethylamino)prop-2-enenitrile
CID 1478361
2-[1-Cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile
CID 3813192
(E)-2-[(E)-1-cyano-2-(dimethylamino)ethenyl]sulfonyl-3-(dimethylamino)prop-2-enenitrile
CID 2805511
(E)-2-[(E)-1-cyano-2-(diethylamino)ethenyl]sulfonyl-3-(diethylamino)prop-2-enenitrile
CID 6256440
2-Propenenitrile, 3-(dimethylamino)-2-(methylsulfonyl)-
CID 3757310
(Z)-3-(dimethylamino)-2-propylsulfonylprop-2-enenitrile
CID 126508992
3-(Dimethylamino)-2-propylsulfonylprop-2-enenitrile
CID 126508995
3-(Dimethylamino)-2-(2-methylpropane-2-sulfonyl)prop-2-enenitrile
CID 1478360
2-[1-Cyano-2-(diethylamino)ethenyl]sulfonyl-3-(diethylamino)prop-2-enenitrile
CID 5043490
(E)-2-[(E)-1-cyano-2-[ethyl(methyl)amino]ethenyl]sulfonyl-3-[ethyl(methyl)amino]prop-2-enenitrile
CID 14788420
3-(Dimethylamino)-2-(ethanesulfonyl)prop-2-enenitrile
CID 86775909

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile?
The IUPAC name of (Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile (CID 1488225) is (Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile is CN(C)/C=C(/C#N)S(C)(=O)=O.
What is the InChIKey of (Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile?
The InChIKey is YGCYQSVPXXQVCC-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-8(2)5-6(4-7)11(3,9)10/h5H,1-3H3/b6-5-.
What are the key properties of (Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile?
(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile has a molecular weight of 174.22 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile is sourced from PubChem (CID 1488225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).