8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C22H28N2O7S2 — CID 16830261

IUPAC8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H28N2O7S2/c1-17-4-6-18(7-5-17)33(27,28)24-14-15-31-22(24)10-12-23(13-11-22)32(25,26)19-8-9-20(29-2)21(16-19)30-3/h4-9,16H,10-15H2,1-3H3
InChIKeyPOXASAURWBKLRZ-UHFFFAOYSA-N
MW496.61 g/mol
LogP2.21
Rot. Bonds6

About 8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16830261) has the molecular formula C22H28N2O7S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16830261
Molecular FormulaC22H28N2O7S2
Molecular Weight496.61 g/mol
Exact Mass496.13
IUPAC Name8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H28N2O7S2/c1-17-4-6-18(7-5-17)33(27,28)24-14-15-31-22(24)10-12-23(13-11-22)32(25,26)19-8-9-20(29-2)21(16-19)30-3/h4-9,16H,10-15H2,1-3H3
InChIKeyPOXASAURWBKLRZ-UHFFFAOYSA-N
XLogP2.21
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16830261) is 8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is POXASAURWBKLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O7S2/c1-17-4-6-18(7-5-17)33(27,28)24-14-15-31-22(24)10-12-23(13-11-22)32(25,26)19-8-9-20(29-2)21(16-19)30-3/h4-9,16H,10-15H2,1-3H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 496.61 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16830261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).