N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide

C11H20F3N3O2S — CID 114810921

IUPACN-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCNCC12CCCCC2
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)9-16-20(18,19)17-7-6-15-8-10(17)4-2-1-3-5-10/h15-16H,1-9H2
InChIKeyXXMSRFKVMOEJKK-UHFFFAOYSA-N
MW315.36 g/mol
LogP0.99
Rot. Bonds3

About N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide

N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide (PubChem CID 114810921) has the molecular formula C11H20F3N3O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide
PubChem CID114810921
Molecular FormulaC11H20F3N3O2S
Molecular Weight315.36 g/mol
Exact Mass315.12
IUPAC NameN-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCNCC12CCCCC2
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)9-16-20(18,19)17-7-6-15-8-10(17)4-2-1-3-5-10/h15-16H,1-9H2
InChIKeyXXMSRFKVMOEJKK-UHFFFAOYSA-N
XLogP0.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
(4,4-Difluoro-1-piperazin-1-ylcyclohexyl)methanamine
CID 117906736
4-[Sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine
CID 167049330
4-[(4,4-Difluorocyclohexyl)methyl-sulfamoylamino]piperidine
CID 167049362
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
4-(3,3,3-Trifluoropropyl)-1,4-diazaspiro[5.5]undecane
CID 64832467
4-(2,2-Difluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 64833664
4-(2,2,2-Trifluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 64833867

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide (CID 114810921) is N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide is O=S(=O)(NCC(F)(F)F)N1CCNCC12CCCCC2.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide?
The InChIKey is XXMSRFKVMOEJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2S/c12-11(13,14)9-16-20(18,19)17-7-6-15-8-10(17)4-2-1-3-5-10/h15-16H,1-9H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide?
N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide has a molecular weight of 315.36 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-1-sulfonamide is sourced from PubChem (CID 114810921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).