4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C23H30N2O6S2 — CID 16830267

IUPAC4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC3)cc1
InChIInChI=1S/C23H30N2O6S2/c1-17-15-18(2)22(19(3)16-17)33(28,29)24-11-9-23(10-12-24)25(13-14-31-23)32(26,27)21-7-5-20(30-4)6-8-21/h5-8,15-16H,9-14H2,1-4H3
InChIKeyPUIQADDAXMZCKB-UHFFFAOYSA-N
MW494.64 g/mol
LogP2.82
Rot. Bonds5

About 4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16830267) has the molecular formula C23H30N2O6S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16830267
Molecular FormulaC23H30N2O6S2
Molecular Weight494.64 g/mol
Exact Mass494.15
IUPAC Name4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC3)cc1
InChIInChI=1S/C23H30N2O6S2/c1-17-15-18(2)22(19(3)16-17)33(28,29)24-11-9-23(10-12-24)25(13-14-31-23)32(26,27)21-7-5-20(30-4)6-8-21/h5-8,15-16H,9-14H2,1-4H3
InChIKeyPUIQADDAXMZCKB-UHFFFAOYSA-N
XLogP2.82
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16830267) is 4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is PUIQADDAXMZCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S2/c1-17-15-18(2)22(19(3)16-17)33(28,29)24-11-9-23(10-12-24)25(13-14-31-23)32(26,27)21-7-5-20(30-4)6-8-21/h5-8,15-16H,9-14H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 494.64 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16830267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).