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

C13H22F3N3O4S — CID 175947611

IUPAC6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N(C1CCCC1)C1CC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H21N3O2S.C2HF3O2/c12-17(15,16)14(9-3-1-2-4-9)10-5-11(6-10)7-13-8-11;3-2(4,5)1(6)7/h9-10,13H,1-8H2,(H2,12,15,16);(H,6,7)
InChIKeyIOSKRXPZBQLKPO-UHFFFAOYSA-N
MW373.40 g/mol
LogP0.82
Rot. Bonds3

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

6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (PubChem CID 175947611) has the molecular formula C13H22F3N3O4S and a molecular weight of 373.40 g/mol. Its IUPAC name is 6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
PubChem CID175947611
Molecular FormulaC13H22F3N3O4S
Molecular Weight373.40 g/mol
Exact Mass373.13
IUPAC Name6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N(C1CCCC1)C1CC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H21N3O2S.C2HF3O2/c12-17(15,16)14(9-3-1-2-4-9)10-5-11(6-10)7-13-8-11;3-2(4,5)1(6)7/h9-10,13H,1-8H2,(H2,12,15,16);(H,6,7)
InChIKeyIOSKRXPZBQLKPO-UHFFFAOYSA-N
XLogP0.82
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (CID 175947611) is 6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is NS(=O)(=O)N(C1CCCC1)C1CC2(CNC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The InChIKey is IOSKRXPZBQLKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S.C2HF3O2/c12-17(15,16)14(9-3-1-2-4-9)10-5-11(6-10)7-13-8-11;3-2(4,5)1(6)7/h9-10,13H,1-8H2,(H2,12,15,16);(H,6,7).
What are the key properties of 6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid has a molecular weight of 373.40 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175947611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).