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

C15H19FN2O3S — CID 70771717

IUPAC8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C15H19FN2O3S/c1-11-8-12(16)2-3-13(11)22(20,21)18-6-4-15(5-7-18)9-14(19)17-10-15/h2-3,8H,4-7,9-10H2,1H3,(H,17,19)
InChIKeyLWQCBBWLXNAWLK-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.42
Rot. Bonds2

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

8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70771717) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70771717
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C15H19FN2O3S/c1-11-8-12(16)2-3-13(11)22(20,21)18-6-4-15(5-7-18)9-14(19)17-10-15/h2-3,8H,4-7,9-10H2,1H3,(H,17,19)
InChIKeyLWQCBBWLXNAWLK-UHFFFAOYSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one (CID 70771717) is 8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one is Cc1cc(F)ccc1S(=O)(=O)N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is LWQCBBWLXNAWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-11-8-12(16)2-3-13(11)22(20,21)18-6-4-15(5-7-18)9-14(19)17-10-15/h2-3,8H,4-7,9-10H2,1H3,(H,17,19).
What are the key properties of 8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one?
8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 326.39 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70771717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).