8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

C16H19ClN2O4S — CID 91923750

IUPAC8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)(=O)C12CCN(C(=O)Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C16H19ClN2O4S/c1-18-15(21)11-24(22,23)16(18)6-8-19(9-7-16)14(20)10-12-2-4-13(17)5-3-12/h2-5H,6-11H2,1H3
InChIKeySFEPZRJDWXHOFT-UHFFFAOYSA-N
MW370.86 g/mol
LogP1.09
Rot. Bonds2

About 8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91923750) has the molecular formula C16H19ClN2O4S and a molecular weight of 370.86 g/mol. Its IUPAC name is 8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91923750
Molecular FormulaC16H19ClN2O4S
Molecular Weight370.86 g/mol
Exact Mass370.08
IUPAC Name8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)(=O)C12CCN(C(=O)Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C16H19ClN2O4S/c1-18-15(21)11-24(22,23)16(18)6-8-19(9-7-16)14(20)10-12-2-4-13(17)5-3-12/h2-5H,6-11H2,1H3
InChIKeySFEPZRJDWXHOFT-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91923750) is 8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is CN1C(=O)CS(=O)(=O)C12CCN(C(=O)Cc1ccc(Cl)cc1)CC2.
What is the InChIKey of 8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SFEPZRJDWXHOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S/c1-18-15(21)11-24(22,23)16(18)6-8-19(9-7-16)14(20)10-12-2-4-13(17)5-3-12/h2-5H,6-11H2,1H3.
What are the key properties of 8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 370.86 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-chlorophenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91923750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).