N-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide

C9H16F2N2O2S — CID 139343693

IUPACN-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CNCC2(CC2)C1(F)F
InChIInChI=1S/C9H16F2N2O2S/c1-16(14,15)13-5-7-4-12-6-8(2-3-8)9(7,10)11/h7,12-13H,2-6H2,1H3
InChIKeyITONPJWIGUUXAO-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.17
Rot. Bonds3

About N-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide

N-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide (PubChem CID 139343693) has the molecular formula C9H16F2N2O2S and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide
PubChem CID139343693
Molecular FormulaC9H16F2N2O2S
Molecular Weight254.30 g/mol
Exact Mass254.09
IUPAC NameN-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CNCC2(CC2)C1(F)F
InChIInChI=1S/C9H16F2N2O2S/c1-16(14,15)13-5-7-4-12-6-8(2-3-8)9(7,10)11/h7,12-13H,2-6H2,1H3
InChIKeyITONPJWIGUUXAO-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide (CID 139343693) is N-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide is CS(=O)(=O)NCC1CNCC2(CC2)C1(F)F.
What is the InChIKey of N-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide?
The InChIKey is ITONPJWIGUUXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2S/c1-16(14,15)13-5-7-4-12-6-8(2-3-8)9(7,10)11/h7,12-13H,2-6H2,1H3.
What are the key properties of N-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide?
N-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide has a molecular weight of 254.30 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8,8-difluoro-5-azaspiro[2.5]octan-7-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139343693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).