3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine

C9H21N3O4S — CID 114816159

IUPAC3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1NS(=O)(=O)NCCOC
InChIInChI=1S/C9H21N3O4S/c1-3-16-8-6-7(10)9(8)12-17(13,14)11-4-5-15-2/h7-9,11-12H,3-6,10H2,1-2H3
InChIKeyWURBGLNWDYVITJ-UHFFFAOYSA-N
MW267.35 g/mol
LogP-1.44
Rot. Bonds8

About 3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine

3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine (PubChem CID 114816159) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine
PubChem CID114816159
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1NS(=O)(=O)NCCOC
InChIInChI=1S/C9H21N3O4S/c1-3-16-8-6-7(10)9(8)12-17(13,14)11-4-5-15-2/h7-9,11-12H,3-6,10H2,1-2H3
InChIKeyWURBGLNWDYVITJ-UHFFFAOYSA-N
XLogP-1.44
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine?
The IUPAC name of 3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine (CID 114816159) is 3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine.
What is the SMILES notation for 3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine?
The canonical SMILES for 3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine is CCOC1CC(N)C1NS(=O)(=O)NCCOC.
What is the InChIKey of 3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine?
The InChIKey is WURBGLNWDYVITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-3-16-8-6-7(10)9(8)12-17(13,14)11-4-5-15-2/h7-9,11-12H,3-6,10H2,1-2H3.
What are the key properties of 3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine?
3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine has a molecular weight of 267.35 g/mol, XLogP of -1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-N-(2-methoxyethylsulfamoyl)cyclobutane-1,2-diamine is sourced from PubChem (CID 114816159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).