4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C14H17FN2O3S2 — CID 87887768

IUPAC4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)SCC(=O)N2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3S2/c1-16-8-6-14(7-9-16)17(13(18)10-21-14)22(19,20)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3
InChIKeyGETKUZOZYVTYPF-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.51
Rot. Bonds2

About 4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 87887768) has the molecular formula C14H17FN2O3S2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID87887768
Molecular FormulaC14H17FN2O3S2
Molecular Weight344.43 g/mol
Exact Mass344.07
IUPAC Name4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)SCC(=O)N2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3S2/c1-16-8-6-14(7-9-16)17(13(18)10-21-14)22(19,20)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3
InChIKeyGETKUZOZYVTYPF-UHFFFAOYSA-N
XLogP1.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 87887768) is 4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CN1CCC2(CC1)SCC(=O)N2S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GETKUZOZYVTYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S2/c1-16-8-6-14(7-9-16)17(13(18)10-21-14)22(19,20)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 344.43 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 87887768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).