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

C21H26N2O7S2 — CID 16830271

IUPAC4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O7S2/c1-28-17-3-7-19(8-4-17)31(24,25)22-13-11-21(12-14-22)23(15-16-30-21)32(26,27)20-9-5-18(29-2)6-10-20/h3-10H,11-16H2,1-2H3
InChIKeyKNZOUCGMZKOWIZ-UHFFFAOYSA-N
MW482.58 g/mol
LogP1.91
Rot. Bonds6

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

4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16830271) has the molecular formula C21H26N2O7S2 and a molecular weight of 482.58 g/mol. Its IUPAC name is 4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16830271
Molecular FormulaC21H26N2O7S2
Molecular Weight482.58 g/mol
Exact Mass482.12
IUPAC Name4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O7S2/c1-28-17-3-7-19(8-4-17)31(24,25)22-13-11-21(12-14-22)23(15-16-30-21)32(26,27)20-9-5-18(29-2)6-10-20/h3-10H,11-16H2,1-2H3
InChIKeyKNZOUCGMZKOWIZ-UHFFFAOYSA-N
XLogP1.91
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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 4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane (CID 16830271) is 4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is KNZOUCGMZKOWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7S2/c1-28-17-3-7-19(8-4-17)31(24,25)22-13-11-21(12-14-22)23(15-16-30-21)32(26,27)20-9-5-18(29-2)6-10-20/h3-10H,11-16H2,1-2H3.
What are the key properties of 4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 482.58 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16830271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).