2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane

C10H17F3N2O2S — CID 56707132

IUPAC2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(CC(F)(F)F)N1CCC2(CCNCC2)C1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)8-18(16,17)15-6-3-9(7-15)1-4-14-5-2-9/h14H,1-8H2
InChIKeySTPMQHKRUTUXDU-UHFFFAOYSA-N
MW286.32 g/mol
LogP0.95
Rot. Bonds2

About 2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane

2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane (PubChem CID 56707132) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane
PubChem CID56707132
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC Name2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(CC(F)(F)F)N1CCC2(CCNCC2)C1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)8-18(16,17)15-6-3-9(7-15)1-4-14-5-2-9/h14H,1-8H2
InChIKeySTPMQHKRUTUXDU-UHFFFAOYSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane (CID 56707132) is 2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane is O=S(=O)(CC(F)(F)F)N1CCC2(CCNCC2)C1.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is STPMQHKRUTUXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)8-18(16,17)15-6-3-9(7-15)1-4-14-5-2-9/h14H,1-8H2.
What are the key properties of 2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane?
2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 286.32 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfonyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56707132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).