8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

C16H19ClN2O4S — CID 146072768

IUPAC8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(Cl)C(=O)N1CCC2(CC1)N(c1ccccc1)C(=O)CS2(=O)=O
InChIInChI=1S/C16H19ClN2O4S/c1-12(17)15(21)18-9-7-16(8-10-18)19(13-5-3-2-4-6-13)14(20)11-24(16,22)23/h2-6,12H,7-11H2,1H3
InChIKeyBNVAWELIMNZLHX-UHFFFAOYSA-N
MW370.86 g/mol
LogP1.39
Rot. Bonds2

About 8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 146072768) has the molecular formula C16H19ClN2O4S and a molecular weight of 370.86 g/mol. Its IUPAC name is 8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID146072768
Molecular FormulaC16H19ClN2O4S
Molecular Weight370.86 g/mol
Exact Mass370.08
IUPAC Name8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(Cl)C(=O)N1CCC2(CC1)N(c1ccccc1)C(=O)CS2(=O)=O
InChIInChI=1S/C16H19ClN2O4S/c1-12(17)15(21)18-9-7-16(8-10-18)19(13-5-3-2-4-6-13)14(20)11-24(16,22)23/h2-6,12H,7-11H2,1H3
InChIKeyBNVAWELIMNZLHX-UHFFFAOYSA-N
XLogP1.39
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-butanoyl-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91923826
8-(4-methylbenzoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91911654
8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91923824
8-(4-methoxybenzoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91923811
8-(2,4-dimethylbenzoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91923815
4-benzyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 155881390
4-benzyl-8-(1,3-oxazole-4-carbonyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 155881107
8-(2-methylpropanoyl)-1-phenyl-1,8-diazaspiro[4.5]decan-4-one
CID 167673948
2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54592434
2-chloro-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103881681
4-benzyl-8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 155881246
2-chloro-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3273405

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 146072768) is 8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is CC(Cl)C(=O)N1CCC2(CC1)N(c1ccccc1)C(=O)CS2(=O)=O.
What is the InChIKey of 8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is BNVAWELIMNZLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S/c1-12(17)15(21)18-9-7-16(8-10-18)19(13-5-3-2-4-6-13)14(20)11-24(16,22)23/h2-6,12H,7-11H2,1H3.
What are the key properties of 8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 370.86 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloropropanoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 146072768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).