8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

C14H17FN2O4S2 — CID 91920529

IUPAC8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C14H17FN2O4S2/c1-16-13(18)10-22(19)14(16)6-8-17(9-7-14)23(20,21)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3
InChIKeyYPWLZJZCXYVZJZ-UHFFFAOYSA-N
MW360.43 g/mol
LogP0.53
Rot. Bonds2

About 8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91920529) has the molecular formula C14H17FN2O4S2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91920529
Molecular FormulaC14H17FN2O4S2
Molecular Weight360.43 g/mol
Exact Mass360.06
IUPAC Name8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C14H17FN2O4S2/c1-16-13(18)10-22(19)14(16)6-8-17(9-7-14)23(20,21)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3
InChIKeyYPWLZJZCXYVZJZ-UHFFFAOYSA-N
XLogP0.53
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97484696
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
8-(benzenesulfonyl)-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91909779
8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97397045
8-(4-fluorophenyl)sulfonyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110504335
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91802635
2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
CID 118386146
1-(4-fluorophenyl)sulfonylpiperazin-4-ium
CID 2063341
1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine-4-carbonitrile
CID 166188442
4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 178050421
(3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97450586

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91920529) is 8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is CN1C(=O)CS(=O)C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YPWLZJZCXYVZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4S2/c1-16-13(18)10-22(19)14(16)6-8-17(9-7-14)23(20,21)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3.
What are the key properties of 8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 360.43 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91920529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).