4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

C16H19ClN2O3S — CID 46112844

IUPAC4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCOCC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O3S/c1-22-10-14(20)18-8-6-16(7-9-18)19(15(21)11-23-16)13-4-2-12(17)3-5-13/h2-5H,6-11H2,1H3
InChIKeyQCPYZZIKCDUELV-UHFFFAOYSA-N
MW354.86 g/mol
LogP2.38
Rot. Bonds3

About 4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 46112844) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID46112844
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC Name4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCOCC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O3S/c1-22-10-14(20)18-8-6-16(7-9-18)19(15(21)11-23-16)13-4-2-12(17)3-5-13/h2-5H,6-11H2,1H3
InChIKeyQCPYZZIKCDUELV-UHFFFAOYSA-N
XLogP2.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 46112844) is 4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is COCC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QCPYZZIKCDUELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-22-10-14(20)18-8-6-16(7-9-18)19(15(21)11-23-16)13-4-2-12(17)3-5-13/h2-5H,6-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 354.86 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46112844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).