triethyl(methylsulfamoyl)azanium

C7H19N2O2S+ — CID 21018830

IUPACtriethyl(methylsulfamoyl)azanium
SMILESCC[N+](CC)(CC)S(=O)(=O)NC
InChIInChI=1S/C7H19N2O2S/c1-5-9(6-2,7-3)12(10,11)8-4/h8H,5-7H2,1-4H3/q+1
InChIKeyNNAUTIPLAYOPSY-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.33
Rot. Bonds5

About triethyl(methylsulfamoyl)azanium

triethyl(methylsulfamoyl)azanium (PubChem CID 21018830) has the molecular formula C7H19N2O2S+ and a molecular weight of 195.31 g/mol. Its IUPAC name is triethyl(methylsulfamoyl)azanium.

Molecular Properties

Compound Nametriethyl(methylsulfamoyl)azanium
PubChem CID21018830
Molecular FormulaC7H19N2O2S+
Molecular Weight195.31 g/mol
Exact Mass195.12
IUPAC Nametriethyl(methylsulfamoyl)azanium
SMILESCC[N+](CC)(CC)S(=O)(=O)NC
InChIInChI=1S/C7H19N2O2S/c1-5-9(6-2,7-3)12(10,11)8-4/h8H,5-7H2,1-4H3/q+1
InChIKeyNNAUTIPLAYOPSY-UHFFFAOYSA-N
XLogP0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl(methylsulfamoyl)azanium?
The IUPAC name of triethyl(methylsulfamoyl)azanium (CID 21018830) is triethyl(methylsulfamoyl)azanium.
What is the SMILES notation for triethyl(methylsulfamoyl)azanium?
The canonical SMILES for triethyl(methylsulfamoyl)azanium is CC[N+](CC)(CC)S(=O)(=O)NC.
What is the InChIKey of triethyl(methylsulfamoyl)azanium?
The InChIKey is NNAUTIPLAYOPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N2O2S/c1-5-9(6-2,7-3)12(10,11)8-4/h8H,5-7H2,1-4H3/q+1.
What are the key properties of triethyl(methylsulfamoyl)azanium?
triethyl(methylsulfamoyl)azanium has a molecular weight of 195.31 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(methylsulfamoyl)azanium is sourced from PubChem (CID 21018830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).