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

C13H24F3N3O4S — CID 175947605

IUPAC6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)CN(C1CC2(CNC2)C1)S(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C11H23N3O2S.C2HF3O2/c1-10(2,3)8-14(17(12,15)16)9-4-11(5-9)6-13-7-11;3-2(4,5)1(6)7/h9,13H,4-8H2,1-3H3,(H2,12,15,16);(H,6,7)
InChIKeyGNJBCBNUJRBBAU-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.92
Rot. Bonds3

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

6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (PubChem CID 175947605) has the molecular formula C13H24F3N3O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is 6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
PubChem CID175947605
Molecular FormulaC13H24F3N3O4S
Molecular Weight375.41 g/mol
Exact Mass375.14
IUPAC Name6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)CN(C1CC2(CNC2)C1)S(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C11H23N3O2S.C2HF3O2/c1-10(2,3)8-14(17(12,15)16)9-4-11(5-9)6-13-7-11;3-2(4,5)1(6)7/h9,13H,4-8H2,1-3H3,(H2,12,15,16);(H,6,7)
InChIKeyGNJBCBNUJRBBAU-UHFFFAOYSA-N
XLogP0.92
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (CID 175947605) is 6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is CC(C)(C)CN(C1CC2(CNC2)C1)S(N)(=O)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The InChIKey is GNJBCBNUJRBBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S.C2HF3O2/c1-10(2,3)8-14(17(12,15)16)9-4-11(5-9)6-13-7-11;3-2(4,5)1(6)7/h9,13H,4-8H2,1-3H3,(H2,12,15,16);(H,6,7).
What are the key properties of 6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid has a molecular weight of 375.41 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175947605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).