(Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium

C8H17N2O2S+ — CID 142775137

IUPAC(Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium
SMILESC=C(/C=[N+](/C)CN(C)C)S(C)(=O)=O
InChIInChI=1S/C8H17N2O2S/c1-8(13(5,11)12)6-10(4)7-9(2)3/h6H,1,7H2,2-5H3/q+1/b10-6-
InChIKeyIQGTUDCLXPIJBU-POHAHGRESA-N
MW205.30 g/mol
LogP-0.22
Rot. Bonds4

About (Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium

(Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium (PubChem CID 142775137) has the molecular formula C8H17N2O2S+ and a molecular weight of 205.30 g/mol. Its IUPAC name is (Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium.

Molecular Properties

Compound Name(Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium
PubChem CID142775137
Molecular FormulaC8H17N2O2S+
Molecular Weight205.30 g/mol
Exact Mass205.10
IUPAC Name(Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium
SMILESC=C(/C=[N+](/C)CN(C)C)S(C)(=O)=O
InChIInChI=1S/C8H17N2O2S/c1-8(13(5,11)12)6-10(4)7-9(2)3/h6H,1,7H2,2-5H3/q+1/b10-6-
InChIKeyIQGTUDCLXPIJBU-POHAHGRESA-N
XLogP-0.22
TPSA40.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[3-(Dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium
CID 87667599
[3-(Dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium chloride
CID 141111902
(Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium chloride
CID 142775136
[3-(Dimethylamino)-2-methanesulfonylprop-2-en-1-ylidene]dimethylazanium perchlorate
CID 146155157
[(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium
CID 146155158
[(Z)-3-(dimethylamino)-2-ethylsulfonylprop-2-enylidene]-dimethylazanium
CID 165739603
[(Z)-3-(dimethylamino)-2-propan-2-ylsulfonylprop-2-enylidene]-dimethylazanium
CID 165750460

Frequently Asked Questions

What is the IUPAC name of (Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium?
The IUPAC name of (Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium (CID 142775137) is (Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium.
What is the SMILES notation for (Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium?
The canonical SMILES for (Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium is C=C(/C=[N+](/C)CN(C)C)S(C)(=O)=O.
What is the InChIKey of (Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium?
The InChIKey is IQGTUDCLXPIJBU-POHAHGRESA-N. The full InChI is InChI=1S/C8H17N2O2S/c1-8(13(5,11)12)6-10(4)7-9(2)3/h6H,1,7H2,2-5H3/q+1/b10-6-.
What are the key properties of (Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium?
(Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium has a molecular weight of 205.30 g/mol, XLogP of -0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(dimethylamino)methyl-methyl-(2-methylsulfonylprop-2-enylidene)azanium is sourced from PubChem (CID 142775137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).