4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane

C21H26N2O7S2 — CID 59565045

IUPAC4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1cccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C21H26N2O7S2/c1-28-17-5-3-7-19(15-17)31(24,25)22-11-9-21(10-12-22)23(13-14-30-21)32(26,27)20-8-4-6-18(16-20)29-2/h3-8,15-16H,9-14H2,1-2H3
InChIKeyKMBWLXKDEXLRKL-UHFFFAOYSA-N
MW482.58 g/mol
LogP1.91
Rot. Bonds6

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

4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 59565045) has the molecular formula C21H26N2O7S2 and a molecular weight of 482.58 g/mol. Its IUPAC name is 4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID59565045
Molecular FormulaC21H26N2O7S2
Molecular Weight482.58 g/mol
Exact Mass482.12
IUPAC Name4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1cccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C21H26N2O7S2/c1-28-17-5-3-7-19(15-17)31(24,25)22-11-9-21(10-12-22)23(13-14-30-21)32(26,27)20-8-4-6-18(16-20)29-2/h3-8,15-16H,9-14H2,1-2H3
InChIKeyKMBWLXKDEXLRKL-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

4,8-bis[[3-(trifluoromethoxy)phenyl]sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane;prop-1-ene
CID 144828064
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
8-(4-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830285
8-(2,5-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830263
(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97116828
1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 81264716
4-(4-methoxyphenyl)sulfonyl-8-sulfanyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 122605910
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine
CID 163316787
4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline
CID 59565071
8-(4-methoxy-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830286
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284

Frequently Asked Questions

What is the IUPAC name of 4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane (CID 59565045) is 4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane is COc1cccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccc(OC)c2)c1.
What is the InChIKey of 4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is KMBWLXKDEXLRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7S2/c1-28-17-5-3-7-19(15-17)31(24,25)22-11-9-21(10-12-22)23(13-14-30-21)32(26,27)20-8-4-6-18(16-20)29-2/h3-8,15-16H,9-14H2,1-2H3.
What are the key properties of 4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane?
4,8-bis[(3-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[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 59565045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).