8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H16FN3O4S — CID 16896776

IUPAC8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C14H16FN3O4S/c1-17-12(19)14(16-13(17)20)5-7-18(8-6-14)23(21,22)11-4-2-3-10(15)9-11/h2-4,9H,5-8H2,1H3,(H,16,20)
InChIKeyMLHUNVVDEXHVRU-UHFFFAOYSA-N
MW341.36 g/mol
LogP0.53
Rot. Bonds2

About 8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 16896776) has the molecular formula C14H16FN3O4S and a molecular weight of 341.36 g/mol. Its IUPAC name is 8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID16896776
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Name8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C14H16FN3O4S/c1-17-12(19)14(16-13(17)20)5-7-18(8-6-14)23(21,22)11-4-2-3-10(15)9-11/h2-4,9H,5-8H2,1H3,(H,16,20)
InChIKeyMLHUNVVDEXHVRU-UHFFFAOYSA-N
XLogP0.53
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 75396155
8-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16826034
N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide
CID 27396707
(3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104009
1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-amine
CID 123166621
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
8-(4-fluorophenyl)sulfonyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110504335
3-methyl-8-(5-methylthiophen-2-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110713834
8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23853075
5-(3-fluorophenyl)sulfonyl-1-methyl-1,5-diazacycloundecan-2-one
CID 110201446
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione
CID 2663722

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 16896776) is 8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)NC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O.
What is the InChIKey of 8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MLHUNVVDEXHVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-17-12(19)14(16-13(17)20)5-7-18(8-6-14)23(21,22)11-4-2-3-10(15)9-11/h2-4,9H,5-8H2,1H3,(H,16,20).
What are the key properties of 8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 341.36 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 16896776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).