9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one

C15H18F2N2O4S — CID 54591696

IUPAC9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCN(S(=O)(=O)c1cccc(OC(F)F)c1)C2
InChIInChI=1S/C15H18F2N2O4S/c16-14(17)23-11-3-1-4-12(9-11)24(21,22)19-8-2-5-15(10-19)6-7-18-13(15)20/h1,3-4,9,14H,2,5-8,10H2,(H,18,20)
InChIKeyNCPCCBJXQSLNNO-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.58
Rot. Bonds4

About 9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one

9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 54591696) has the molecular formula C15H18F2N2O4S and a molecular weight of 360.38 g/mol. Its IUPAC name is 9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID54591696
Molecular FormulaC15H18F2N2O4S
Molecular Weight360.38 g/mol
Exact Mass360.10
IUPAC Name9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCN(S(=O)(=O)c1cccc(OC(F)F)c1)C2
InChIInChI=1S/C15H18F2N2O4S/c16-14(17)23-11-3-1-4-12(9-11)24(21,22)19-8-2-5-15(10-19)6-7-18-13(15)20/h1,3-4,9,14H,2,5-8,10H2,(H,18,20)
InChIKeyNCPCCBJXQSLNNO-UHFFFAOYSA-N
XLogP1.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one (CID 54591696) is 9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCCN(S(=O)(=O)c1cccc(OC(F)F)c1)C2.
What is the InChIKey of 9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is NCPCCBJXQSLNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O4S/c16-14(17)23-11-3-1-4-12(9-11)24(21,22)19-8-2-5-15(10-19)6-7-18-13(15)20/h1,3-4,9,14H,2,5-8,10H2,(H,18,20).
What are the key properties of 9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 360.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(difluoromethoxy)phenyl]sulfonyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 54591696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).