N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide

C9H16F2N2O2S — CID 43597961

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCNC2(CCC2)C1)C(F)F
InChIInChI=1S/C9H16F2N2O2S/c10-8(11)16(14,15)13-7-2-5-12-9(6-7)3-1-4-9/h7-8,12-13H,1-6H2
InChIKeyJCAKDWQHEADZEI-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.80
Rot. Bonds3

About N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide

N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide (PubChem CID 43597961) has the molecular formula C9H16F2N2O2S and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide
PubChem CID43597961
Molecular FormulaC9H16F2N2O2S
Molecular Weight254.30 g/mol
Exact Mass254.09
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCNC2(CCC2)C1)C(F)F
InChIInChI=1S/C9H16F2N2O2S/c10-8(11)16(14,15)13-7-2-5-12-9(6-7)3-1-4-9/h7-8,12-13H,1-6H2
InChIKeyJCAKDWQHEADZEI-UHFFFAOYSA-N
XLogP0.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide (CID 43597961) is N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide is O=S(=O)(NC1CCNC2(CCC2)C1)C(F)F.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is JCAKDWQHEADZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2S/c10-8(11)16(14,15)13-7-2-5-12-9(6-7)3-1-4-9/h7-8,12-13H,1-6H2.
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide?
N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 254.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43597961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).