8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C20H24N2O6S2 — CID 16830268

IUPAC8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccccc2)CC3)cc1
InChIInChI=1S/C20H24N2O6S2/c1-27-17-7-9-19(10-8-17)30(25,26)22-15-16-28-20(22)11-13-21(14-12-20)29(23,24)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyHRDWJNDGJWMSLM-UHFFFAOYSA-N
MW452.55 g/mol
LogP1.90
Rot. Bonds5

About 8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16830268) has the molecular formula C20H24N2O6S2 and a molecular weight of 452.55 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16830268
Molecular FormulaC20H24N2O6S2
Molecular Weight452.55 g/mol
Exact Mass452.11
IUPAC Name8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccccc2)CC3)cc1
InChIInChI=1S/C20H24N2O6S2/c1-27-17-7-9-19(10-8-17)30(25,26)22-15-16-28-20(22)11-13-21(14-12-20)29(23,24)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyHRDWJNDGJWMSLM-UHFFFAOYSA-N
XLogP1.90
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine
CID 1104493
1-[(4-Methoxyphenyl)sulfonyl]-4-(pyrrolidin-1-yl)piperidine
CID 1121648
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058
1-(Benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine
CID 23607722
4-[(4-Phenoxyphenyl)sulfonyl]morpholine
CID 796473
4-{4-[4-(Morpholine-4-sulfonyl)phenoxy]benzenesulfonyl}morpholine
CID 1077177
1-(4-Methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine
CID 660285
4-((4-Methoxyphenyl)sulfonyl)-8-(methylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384391
1-(4-Methoxybenzenesulfonyl)-4-(4-methoxyphenoxy)piperidine
CID 16014129
8-((4-Fluoro-2-methylphenyl)sulfonyl)-4-((4-methoxyphenyl)sulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803312
4-((4-Methoxyphenyl)sulfonyl)-8-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830265
8-(Mesitylsulfonyl)-4-((4-methoxyphenyl)sulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830267

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16830268) is 8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccccc2)CC3)cc1.
What is the InChIKey of 8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is HRDWJNDGJWMSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S2/c1-27-17-7-9-19(10-8-17)30(25,26)22-15-16-28-20(22)11-13-21(14-12-20)29(23,24)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3.
What are the key properties of 8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 452.55 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16830268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).