(1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

C18H21N3O5S — CID 97440615

IUPAC(1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CNS(=O)(=O)c2ccccc2OC3)no1
InChIInChI=1S/C18H21N3O5S/c1-13-10-14(20-26-13)17(22)21-8-6-18(7-9-21)11-19-27(23,24)16-5-3-2-4-15(16)25-12-18/h2-5,10,19H,6-9,11-12H2,1H3
InChIKeyWAEUIANDTDWKLC-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.58
Rot. Bonds1

About (1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

(1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 97440615) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is (1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID97440615
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name(1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CNS(=O)(=O)c2ccccc2OC3)no1
InChIInChI=1S/C18H21N3O5S/c1-13-10-14(20-26-13)17(22)21-8-6-18(7-9-21)11-19-27(23,24)16-5-3-2-4-15(16)25-12-18/h2-5,10,19H,6-9,11-12H2,1H3
InChIKeyWAEUIANDTDWKLC-UHFFFAOYSA-N
XLogP1.58
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (CID 97440615) is (1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCC3(CC2)CNS(=O)(=O)c2ccccc2OC3)no1.
What is the InChIKey of (1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is WAEUIANDTDWKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-13-10-14(20-26-13)17(22)21-8-6-18(7-9-21)11-19-27(23,24)16-5-3-2-4-15(16)25-12-18/h2-5,10,19H,6-9,11-12H2,1H3.
What are the key properties of (1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
(1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 391.45 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxospiro[3,5-dihydro-2H-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 97440615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).