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

C17H19FN2O2S — CID 46112855

IUPAC8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(C1CC1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c18-13-3-5-14(6-4-13)20-15(21)11-23-17(20)7-9-19(10-8-17)16(22)12-1-2-12/h3-6,12H,1-2,7-11H2
InChIKeyUKSSQUAKSMPICW-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.63
Rot. Bonds2

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

8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 46112855) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID46112855
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(C1CC1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c18-13-3-5-14(6-4-13)20-15(21)11-23-17(20)7-9-19(10-8-17)16(22)12-1-2-12/h3-6,12H,1-2,7-11H2
InChIKeyUKSSQUAKSMPICW-UHFFFAOYSA-N
XLogP2.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 46112855) is 8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is O=C(C1CC1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1.
What is the InChIKey of 8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is UKSSQUAKSMPICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c18-13-3-5-14(6-4-13)20-15(21)11-23-17(20)7-9-19(10-8-17)16(22)12-1-2-12/h3-6,12H,1-2,7-11H2.
What are the key properties of 8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 334.42 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropanecarbonyl)-4-(4-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46112855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).