6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid

C10H17F4N3O4S — CID 175727589

IUPAC6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N(CCF)C1CC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16FN3O2S.C2HF3O2/c9-1-2-12(15(10,13)14)7-3-8(4-7)5-11-6-8;3-2(4,5)1(6)7/h7,11H,1-6H2,(H2,10,13,14);(H,6,7)
InChIKeyMKQSRBIOHSIZNO-UHFFFAOYSA-N
MW351.32 g/mol
LogP-0.15
Rot. Bonds4

About 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid

6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (PubChem CID 175727589) has the molecular formula C10H17F4N3O4S and a molecular weight of 351.32 g/mol. Its IUPAC name is 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
PubChem CID175727589
Molecular FormulaC10H17F4N3O4S
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC Name6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N(CCF)C1CC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16FN3O2S.C2HF3O2/c9-1-2-12(15(10,13)14)7-3-8(4-7)5-11-6-8;3-2(4,5)1(6)7/h7,11H,1-6H2,(H2,10,13,14);(H,6,7)
InChIKeyMKQSRBIOHSIZNO-UHFFFAOYSA-N
XLogP-0.15
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (CID 175727589) is 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is NS(=O)(=O)N(CCF)C1CC2(CNC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The InChIKey is MKQSRBIOHSIZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3O2S.C2HF3O2/c9-1-2-12(15(10,13)14)7-3-8(4-7)5-11-6-8;3-2(4,5)1(6)7/h7,11H,1-6H2,(H2,10,13,14);(H,6,7).
What are the key properties of 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid has a molecular weight of 351.32 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoroethyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175727589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).