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

C22H28N2O5S — CID 97361185

IUPACfuran-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone
SMILESCC(C)CN1CC2(CCN(C(=O)c3ccco3)CC2)COc2ccccc2S1(=O)=O
InChIInChI=1S/C22H28N2O5S/c1-17(2)14-24-15-22(16-29-18-6-3-4-8-20(18)30(24,26)27)9-11-23(12-10-22)21(25)19-7-5-13-28-19/h3-8,13,17H,9-12,14-16H2,1-2H3
InChIKeyVXEVJIXOQNSIIO-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.24
Rot. Bonds3

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

furan-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone (PubChem CID 97361185) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is furan-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone
PubChem CID97361185
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Namefuran-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone
SMILESCC(C)CN1CC2(CCN(C(=O)c3ccco3)CC2)COc2ccccc2S1(=O)=O
InChIInChI=1S/C22H28N2O5S/c1-17(2)14-24-15-22(16-29-18-6-3-4-8-20(18)30(24,26)27)9-11-23(12-10-22)21(25)19-7-5-13-28-19/h3-8,13,17H,9-12,14-16H2,1-2H3
InChIKeyVXEVJIXOQNSIIO-UHFFFAOYSA-N
XLogP3.24
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[1,1-dioxo-2-(2-oxopropyl)spiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]-3-methylbutan-1-one
CID 155899844
1-[2-(2-methoxyethyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]propan-1-one
CID 97440698
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
9-(furan-2-carbonyl)-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495819
methyl 2-[2-[2-(methylamino)-2-oxoethyl]-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]acetate;2,2,2-trifluoroacetic acid
CID 155857212
furan-2-yl-[2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3232660
furan-2-yl-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3233080
furan-2-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3234982
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
2-methyl-1'-pyrimidin-5-ylspiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine] 1,1-dioxide
CID 97410450
1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one
CID 811451

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone?
The IUPAC name of furan-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone (CID 97361185) is furan-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for furan-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for furan-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone is CC(C)CN1CC2(CCN(C(=O)c3ccco3)CC2)COc2ccccc2S1(=O)=O.
What is the InChIKey of furan-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone?
The InChIKey is VXEVJIXOQNSIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-17(2)14-24-15-22(16-29-18-6-3-4-8-20(18)30(24,26)27)9-11-23(12-10-22)21(25)19-7-5-13-28-19/h3-8,13,17H,9-12,14-16H2,1-2H3.
What are the key properties of furan-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone?
furan-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone has a molecular weight of 432.54 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-(2-methylpropyl)-1,1-dioxospiro[3,5-dihydro-6,1λ6,2-benzoxathiazocine-4,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 97361185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).