ethoxycarbonylsulfamoyl(triethyl)azanium

C9H21N2O4S+ — CID 4666391

IUPACethoxycarbonylsulfamoyl(triethyl)azanium
SMILESCCOC(=O)NS(=O)(=O)[N+](CC)(CC)CC
InChIInChI=1S/C9H20N2O4S/c1-5-11(6-2,7-3)16(13,14)10-9(12)15-8-4/h5-8H2,1-4H3/p+1
InChIKeyANOSWSHWOQMDKR-UHFFFAOYSA-O
MW253.34 g/mol
LogP0.85
Rot. Bonds6

About ethoxycarbonylsulfamoyl(triethyl)azanium

ethoxycarbonylsulfamoyl(triethyl)azanium (PubChem CID 4666391) has the molecular formula C9H21N2O4S+ and a molecular weight of 253.34 g/mol. Its IUPAC name is ethoxycarbonylsulfamoyl(triethyl)azanium.

Molecular Properties

Compound Nameethoxycarbonylsulfamoyl(triethyl)azanium
PubChem CID4666391
Molecular FormulaC9H21N2O4S+
Molecular Weight253.34 g/mol
Exact Mass253.12
IUPAC Nameethoxycarbonylsulfamoyl(triethyl)azanium
SMILESCCOC(=O)NS(=O)(=O)[N+](CC)(CC)CC
InChIInChI=1S/C9H20N2O4S/c1-5-11(6-2,7-3)16(13,14)10-9(12)15-8-4/h5-8H2,1-4H3/p+1
InChIKeyANOSWSHWOQMDKR-UHFFFAOYSA-O
XLogP0.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethoxycarbonylsulfamoyl(triethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate
CID 114466677
methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate
CID 114465372
ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate
CID 114461389
2-(ethoxycarbonylsulfamoylamino)butanedioic acid
CID 114462931
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl N-[(1-chloro-4-methylpentan-3-yl)sulfamoyl]carbamate
CID 106356437
5-(ethoxycarbonylsulfamoylamino)hexanoic acid
CID 114463014
ethyl N-[(1-chloro-4-methylpentan-2-yl)sulfamoyl]carbamate
CID 114466377
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
ethyl N-(propylamino)carbamate
CID 88968739
ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate
CID 114461541
ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
CID 106184660

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonylsulfamoyl(triethyl)azanium?
The IUPAC name of ethoxycarbonylsulfamoyl(triethyl)azanium (CID 4666391) is ethoxycarbonylsulfamoyl(triethyl)azanium.
What is the SMILES notation for ethoxycarbonylsulfamoyl(triethyl)azanium?
The canonical SMILES for ethoxycarbonylsulfamoyl(triethyl)azanium is CCOC(=O)NS(=O)(=O)[N+](CC)(CC)CC.
What is the InChIKey of ethoxycarbonylsulfamoyl(triethyl)azanium?
The InChIKey is ANOSWSHWOQMDKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H20N2O4S/c1-5-11(6-2,7-3)16(13,14)10-9(12)15-8-4/h5-8H2,1-4H3/p+1.
What are the key properties of ethoxycarbonylsulfamoyl(triethyl)azanium?
ethoxycarbonylsulfamoyl(triethyl)azanium has a molecular weight of 253.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonylsulfamoyl(triethyl)azanium is sourced from PubChem (CID 4666391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).