3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane

C11H19F2NO2S — CID 58435995

IUPAC3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane
SMILESO=S(=O)(C(F)F)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C11H19F2NO2S/c12-10(13)17(15,16)14-8-6-11(7-9-14)4-2-1-3-5-11/h10H,1-9H2
InChIKeyRHDMLTVACGWMOL-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.59
Rot. Bonds2

About 3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane

3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane (PubChem CID 58435995) has the molecular formula C11H19F2NO2S and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane
PubChem CID58435995
Molecular FormulaC11H19F2NO2S
Molecular Weight267.34 g/mol
Exact Mass267.11
IUPAC Name3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane
SMILESO=S(=O)(C(F)F)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C11H19F2NO2S/c12-10(13)17(15,16)14-8-6-11(7-9-14)4-2-1-3-5-11/h10H,1-9H2
InChIKeyRHDMLTVACGWMOL-UHFFFAOYSA-N
XLogP2.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane?
The IUPAC name of 3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane (CID 58435995) is 3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane is O=S(=O)(C(F)F)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane?
The InChIKey is RHDMLTVACGWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2S/c12-10(13)17(15,16)14-8-6-11(7-9-14)4-2-1-3-5-11/h10H,1-9H2.
What are the key properties of 3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane?
3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane has a molecular weight of 267.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 58435995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).