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

C8H19ClN2O2S — CID 174904693

IUPACdimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)CCS(=O)(=O)NC.[Cl-]
InChIInChI=1S/C8H19N2O2S.ClH/c1-5-6-10(3,4)7-8-13(11,12)9-2;/h5,9H,1,6-8H2,2-4H3;1H/q+1;/p-1
InChIKeyHGQGNNURWBBKGK-UHFFFAOYSA-M
MW242.77 g/mol
LogP-3.20
Rot. Bonds6

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

dimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride (PubChem CID 174904693) has the molecular formula C8H19ClN2O2S and a molecular weight of 242.77 g/mol. Its IUPAC name is dimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride.

Molecular Properties

Compound Namedimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride
PubChem CID174904693
Molecular FormulaC8H19ClN2O2S
Molecular Weight242.77 g/mol
Exact Mass242.09
IUPAC Namedimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)CCS(=O)(=O)NC.[Cl-]
InChIInChI=1S/C8H19N2O2S.ClH/c1-5-6-10(3,4)7-8-13(11,12)9-2;/h5,9H,1,6-8H2,2-4H3;1H/q+1;/p-1
InChIKeyHGQGNNURWBBKGK-UHFFFAOYSA-M
XLogP-3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 5-3.20
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride?
The IUPAC name of dimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride (CID 174904693) is dimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride.
What is the SMILES notation for dimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride?
The canonical SMILES for dimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride is C=CC[N+](C)(C)CCS(=O)(=O)NC.[Cl-].
What is the InChIKey of dimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride?
The InChIKey is HGQGNNURWBBKGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19N2O2S.ClH/c1-5-6-10(3,4)7-8-13(11,12)9-2;/h5,9H,1,6-8H2,2-4H3;1H/q+1;/p-1.
What are the key properties of dimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride?
dimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride has a molecular weight of 242.77 g/mol, XLogP of -3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride is sourced from PubChem (CID 174904693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).