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

C12H20F3N3O4S — CID 175947612

IUPAC6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N(C1CCC1)C1CC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19N3O2S.C2HF3O2/c11-16(14,15)13(8-2-1-3-8)9-4-10(5-9)6-12-7-10;3-2(4,5)1(6)7/h8-9,12H,1-7H2,(H2,11,14,15);(H,6,7)
InChIKeyKKWSNVMBPFMIJU-UHFFFAOYSA-N
MW359.37 g/mol
LogP0.43
Rot. Bonds3

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

6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (PubChem CID 175947612) has the molecular formula C12H20F3N3O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is 6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
PubChem CID175947612
Molecular FormulaC12H20F3N3O4S
Molecular Weight359.37 g/mol
Exact Mass359.11
IUPAC Name6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N(C1CCC1)C1CC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19N3O2S.C2HF3O2/c11-16(14,15)13(8-2-1-3-8)9-4-10(5-9)6-12-7-10;3-2(4,5)1(6)7/h8-9,12H,1-7H2,(H2,11,14,15);(H,6,7)
InChIKeyKKWSNVMBPFMIJU-UHFFFAOYSA-N
XLogP0.43
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (CID 175947612) is 6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is NS(=O)(=O)N(C1CCC1)C1CC2(CNC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The InChIKey is KKWSNVMBPFMIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S.C2HF3O2/c11-16(14,15)13(8-2-1-3-8)9-4-10(5-9)6-12-7-10;3-2(4,5)1(6)7/h8-9,12H,1-7H2,(H2,11,14,15);(H,6,7).
What are the key properties of 6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid has a molecular weight of 359.37 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175947612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).