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

C20H25FN2O3S — CID 91909792

IUPAC8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(C1CCCC1)N1CCC2(CC1)N(Cc1cccc(F)c1)C(=O)CS2=O
InChIInChI=1S/C20H25FN2O3S/c21-17-7-3-4-15(12-17)13-23-18(24)14-27(26)20(23)8-10-22(11-9-20)19(25)16-5-1-2-6-16/h3-4,7,12,16H,1-2,5-6,8-11,13-14H2
InChIKeyRUIATLUAEAVZCI-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.43
Rot. Bonds3

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

8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91909792) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91909792
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(C1CCCC1)N1CCC2(CC1)N(Cc1cccc(F)c1)C(=O)CS2=O
InChIInChI=1S/C20H25FN2O3S/c21-17-7-3-4-15(12-17)13-23-18(24)14-27(26)20(23)8-10-22(11-9-20)19(25)16-5-1-2-6-16/h3-4,7,12,16H,1-2,5-6,8-11,13-14H2
InChIKeyRUIATLUAEAVZCI-UHFFFAOYSA-N
XLogP2.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)pentanamide
CID 4244101
8-[2-(3-Fluorophenyl)acetyl]-4-methyl-1-oxo-1lambda4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91920522
2-(2-Fluorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 644867
2-(4-Fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one
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CID 5343899
2-(2-Fluorophenyl)-5-methyl-3-[3-oxo-3-(pyrrolidin-1-YL)propyl]-1,3-thiazolidin-4-one
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CID 45212874
7-(4-fluorobenzyl)-2-(tetrahydro-2H-thiopyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 45234246
(1,1-Dioxothiolan-3-yl)-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone
CID 56816036
(4aR*,7aS*)-1-(cyclobutylcarbonyl)-4-(4-fluorobenzyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91909792) is 8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is O=C(C1CCCC1)N1CCC2(CC1)N(Cc1cccc(F)c1)C(=O)CS2=O.
What is the InChIKey of 8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RUIATLUAEAVZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c21-17-7-3-4-15(12-17)13-23-18(24)14-27(26)20(23)8-10-22(11-9-20)19(25)16-5-1-2-6-16/h3-4,7,12,16H,1-2,5-6,8-11,13-14H2.
What are the key properties of 8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 392.50 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentanecarbonyl)-4-[(3-fluorophenyl)methyl]-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91909792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).