N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine

C12H22F3N3O2S — CID 114810366

IUPACN-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine
SMILESO=S(=O)(NCC(F)(F)F)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C12H22F3N3O2S/c13-12(14,15)9-17-21(19,20)18-10-4-7-16-11(8-10)5-2-1-3-6-11/h10,16-18H,1-9H2
InChIKeyFQQUOBPNHITDSE-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.43
Rot. Bonds4

About N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine

N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine (PubChem CID 114810366) has the molecular formula C12H22F3N3O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine
PubChem CID114810366
Molecular FormulaC12H22F3N3O2S
Molecular Weight329.39 g/mol
Exact Mass329.14
IUPAC NameN-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine
SMILESO=S(=O)(NCC(F)(F)F)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C12H22F3N3O2S/c13-12(14,15)9-17-21(19,20)18-10-4-7-16-11(8-10)5-2-1-3-6-11/h10,16-18H,1-9H2
InChIKeyFQQUOBPNHITDSE-UHFFFAOYSA-N
XLogP1.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine
CID 167049330
4-[(4,4-Difluorocyclohexyl)methyl-sulfamoylamino]piperidine
CID 167049362
N-(5-azaspiro[3.5]nonan-8-yl)-1,1,1-trifluoromethanesulfonamide
CID 43597947
N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide
CID 43597961
N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide
CID 43598115
N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide
CID 43598118
N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide
CID 61252928
N-[2-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide
CID 61252929
N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide
CID 61254499
1-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64753829
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64757172
1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64758889

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine (CID 114810366) is N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine is O=S(=O)(NCC(F)(F)F)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine?
The InChIKey is FQQUOBPNHITDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2S/c13-12(14,15)9-17-21(19,20)18-10-4-7-16-11(8-10)5-2-1-3-6-11/h10,16-18H,1-9H2.
What are the key properties of N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine?
N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine has a molecular weight of 329.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethylsulfamoyl)-1-azaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 114810366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).