8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C15H19FN2O4S — CID 166328469

IUPAC8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(F)c1S(=O)(=O)N1CCC2(CC1)CN(C)C(=O)O2
InChIInChI=1S/C15H19FN2O4S/c1-11-4-3-5-12(16)13(11)23(20,21)18-8-6-15(7-9-18)10-17(2)14(19)22-15/h3-5H,6-10H2,1-2H3
InChIKeyDRCGNOZEKQUGPU-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.74
Rot. Bonds2

About 8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 166328469) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID166328469
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(F)c1S(=O)(=O)N1CCC2(CC1)CN(C)C(=O)O2
InChIInChI=1S/C15H19FN2O4S/c1-11-4-3-5-12(16)13(11)23(20,21)18-8-6-15(7-9-18)10-17(2)14(19)22-15/h3-5H,6-10H2,1-2H3
InChIKeyDRCGNOZEKQUGPU-UHFFFAOYSA-N
XLogP1.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 166328469) is 8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cccc(F)c1S(=O)(=O)N1CCC2(CC1)CN(C)C(=O)O2.
What is the InChIKey of 8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DRCGNOZEKQUGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-11-4-3-5-12(16)13(11)23(20,21)18-8-6-15(7-9-18)10-17(2)14(19)22-15/h3-5H,6-10H2,1-2H3.
What are the key properties of 8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 342.39 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-6-methylphenyl)sulfonyl-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 166328469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).