8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C14H17FN2O4S — CID 110668866

IUPAC8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC2(CC1)CNC(=O)O2
InChIInChI=1S/C14H17FN2O4S/c1-10-8-11(15)2-3-12(10)22(19,20)17-6-4-14(5-7-17)9-16-13(18)21-14/h2-3,8H,4-7,9H2,1H3,(H,16,18)
InChIKeyBPKPUIKAOSQVKC-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.40
Rot. Bonds2

About 8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 110668866) has the molecular formula C14H17FN2O4S and a molecular weight of 328.37 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID110668866
Molecular FormulaC14H17FN2O4S
Molecular Weight328.37 g/mol
Exact Mass328.09
IUPAC Name8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC2(CC1)CNC(=O)O2
InChIInChI=1S/C14H17FN2O4S/c1-10-8-11(15)2-3-12(10)22(19,20)17-6-4-14(5-7-17)9-16-13(18)21-14/h2-3,8H,4-7,9H2,1H3,(H,16,18)
InChIKeyBPKPUIKAOSQVKC-UHFFFAOYSA-N
XLogP1.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 110668866) is 8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cc(F)ccc1S(=O)(=O)N1CCC2(CC1)CNC(=O)O2.
What is the InChIKey of 8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BPKPUIKAOSQVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4S/c1-10-8-11(15)2-3-12(10)22(19,20)17-6-4-14(5-7-17)9-16-13(18)21-14/h2-3,8H,4-7,9H2,1H3,(H,16,18).
What are the key properties of 8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 328.37 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenyl)sulfonyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 110668866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).