N-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C16H20FN3O2S — CID 46113086

IUPACN-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O2S/c1-2-18-15(22)19-9-7-16(8-10-19)20(14(21)11-23-16)13-5-3-12(17)4-6-13/h3-6H,2,7-11H2,1H3,(H,18,22)
InChIKeyQQSRVUPSTVHBHI-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.43
Rot. Bonds2

About N-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

N-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 46113086) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID46113086
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC NameN-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O2S/c1-2-18-15(22)19-9-7-16(8-10-19)20(14(21)11-23-16)13-5-3-12(17)4-6-13/h3-6H,2,7-11H2,1H3,(H,18,22)
InChIKeyQQSRVUPSTVHBHI-UHFFFAOYSA-N
XLogP2.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 46113086) is N-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is CCNC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is QQSRVUPSTVHBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-2-18-15(22)19-9-7-16(8-10-19)20(14(21)11-23-16)13-5-3-12(17)4-6-13/h3-6H,2,7-11H2,1H3,(H,18,22).
What are the key properties of N-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
N-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 46113086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).