6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane

C9H19N3O2S — CID 43597373

IUPAC6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane
SMILESCCN(CC)S(=O)(=O)NC1C2CNCC21
InChIInChI=1S/C9H19N3O2S/c1-3-12(4-2)15(13,14)11-9-7-5-10-6-8(7)9/h7-11H,3-6H2,1-2H3
InChIKeyLLGCDOCKYHEDQB-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.62
Rot. Bonds5

About 6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane

6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane (PubChem CID 43597373) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane
PubChem CID43597373
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane
SMILESCCN(CC)S(=O)(=O)NC1C2CNCC21
InChIInChI=1S/C9H19N3O2S/c1-3-12(4-2)15(13,14)11-9-7-5-10-6-8(7)9/h7-11H,3-6H2,1-2H3
InChIKeyLLGCDOCKYHEDQB-UHFFFAOYSA-N
XLogP-0.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane (CID 43597373) is 6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane is CCN(CC)S(=O)(=O)NC1C2CNCC21.
What is the InChIKey of 6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane?
The InChIKey is LLGCDOCKYHEDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-3-12(4-2)15(13,14)11-9-7-5-10-6-8(7)9/h7-11H,3-6H2,1-2H3.
What are the key properties of 6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane?
6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane has a molecular weight of 233.34 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 43597373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).