6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane

C8H16FN3O2S — CID 163275068

IUPAC6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane
SMILESNS(=O)(=O)N(CCF)C1CC2(CNC2)C1
InChIInChI=1S/C8H16FN3O2S/c9-1-2-12(15(10,13)14)7-3-8(4-7)5-11-6-8/h7,11H,1-6H2,(H2,10,13,14)
InChIKeyRXSZHZNOLRTVCO-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.79
Rot. Bonds4

About 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane

6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane (PubChem CID 163275068) has the molecular formula C8H16FN3O2S and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane
PubChem CID163275068
Molecular FormulaC8H16FN3O2S
Molecular Weight237.30 g/mol
Exact Mass237.09
IUPAC Name6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane
SMILESNS(=O)(=O)N(CCF)C1CC2(CNC2)C1
InChIInChI=1S/C8H16FN3O2S/c9-1-2-12(15(10,13)14)7-3-8(4-7)5-11-6-8/h7,11H,1-6H2,(H2,10,13,14)
InChIKeyRXSZHZNOLRTVCO-UHFFFAOYSA-N
XLogP-0.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane (CID 163275068) is 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane is NS(=O)(=O)N(CCF)C1CC2(CNC2)C1.
What is the InChIKey of 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane?
The InChIKey is RXSZHZNOLRTVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3O2S/c9-1-2-12(15(10,13)14)7-3-8(4-7)5-11-6-8/h7,11H,1-6H2,(H2,10,13,14).
What are the key properties of 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane?
6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane has a molecular weight of 237.30 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 163275068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).