dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride

C8H19ClN2O2S — CID 174904695

IUPACdimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)C(C)S(=O)(=O)NC.[Cl-]
InChIInChI=1S/C8H19N2O2S.ClH/c1-6-7-10(4,5)8(2)13(11,12)9-3;/h6,8-9H,1,7H2,2-5H3;1H/q+1;/p-1
InChIKeyUUZVENOIUHHVDA-UHFFFAOYSA-M
MW242.77 g/mol
LogP-2.85
Rot. Bonds5

About dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride

dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride (PubChem CID 174904695) has the molecular formula C8H19ClN2O2S and a molecular weight of 242.77 g/mol. Its IUPAC name is dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride.

Molecular Properties

Compound Namedimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride
PubChem CID174904695
Molecular FormulaC8H19ClN2O2S
Molecular Weight242.77 g/mol
Exact Mass242.09
IUPAC Namedimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)C(C)S(=O)(=O)NC.[Cl-]
InChIInChI=1S/C8H19N2O2S.ClH/c1-6-7-10(4,5)8(2)13(11,12)9-3;/h6,8-9H,1,7H2,2-5H3;1H/q+1;/p-1
InChIKeyUUZVENOIUHHVDA-UHFFFAOYSA-M
XLogP-2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 5-2.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-hydroxyethyl-dimethyl-prop-2-enylazanium chloride
CID 21429944
sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride
CID 175609144
dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride
CID 139964456
(1-methoxy-2-oxoethyl)-dimethyl-prop-2-enylazanium chloride
CID 88658219
methanesulfonate;methyl-tris(prop-2-enyl)azanium
CID 141431677
methyl-tris(prop-2-enyl)azanium;chloride;hydrate
CID 139647541
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046
dimethyl-bis(prop-2-enyl)azanium;polane;chloride
CID 173045035
dimethyl-(2-oxo-2-propan-2-yloxyethyl)-prop-2-enylazanium chloride
CID 87835924
1-hydroxybutan-2-yl-dimethyl-prop-2-enylazanium;chloride;hydrate
CID 175241639
2-(dimethylamino)propanoic acid;methyl-bis(prop-2-enyl)-(3-sulfopropyl)azanium
CID 174486124
2-chloropropan-2-yl-dimethyl-prop-2-enylazanium
CID 174955860

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride?
The IUPAC name of dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride (CID 174904695) is dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride.
What is the SMILES notation for dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride?
The canonical SMILES for dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride is C=CC[N+](C)(C)C(C)S(=O)(=O)NC.[Cl-].
What is the InChIKey of dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride?
The InChIKey is UUZVENOIUHHVDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19N2O2S.ClH/c1-6-7-10(4,5)8(2)13(11,12)9-3;/h6,8-9H,1,7H2,2-5H3;1H/q+1;/p-1.
What are the key properties of dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride?
dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride has a molecular weight of 242.77 g/mol, XLogP of -2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride is sourced from PubChem (CID 174904695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).