7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine

C8H17N3O3S — CID 114811036

IUPAC7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCCNS(=O)(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C8H17N3O3S/c1-2-10-15(12,13)11-7-6(9)5-3-4-14-8(5)7/h5-8,10-11H,2-4,9H2,1H3
InChIKeyIETZODRVFSYFIU-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.46
Rot. Bonds4

About 7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine

7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine (PubChem CID 114811036) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine.

Molecular Properties

Compound Name7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
PubChem CID114811036
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCCNS(=O)(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C8H17N3O3S/c1-2-10-15(12,13)11-7-6(9)5-3-4-14-8(5)7/h5-8,10-11H,2-4,9H2,1H3
InChIKeyIETZODRVFSYFIU-UHFFFAOYSA-N
XLogP-1.46
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The IUPAC name of 7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine (CID 114811036) is 7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine.
What is the SMILES notation for 7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The canonical SMILES for 7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine is CCNS(=O)(=O)NC1C(N)C2CCOC21.
What is the InChIKey of 7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The InChIKey is IETZODRVFSYFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-2-10-15(12,13)11-7-6(9)5-3-4-14-8(5)7/h5-8,10-11H,2-4,9H2,1H3.
What are the key properties of 7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine has a molecular weight of 235.31 g/mol, XLogP of -1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(ethylsulfamoyl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine is sourced from PubChem (CID 114811036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).