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

C20H26N2O5S3 — CID 16830284

IUPAC4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1cc(C)c(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)c(C)c1
InChIInChI=1S/C20H26N2O5S3/c1-15-13-16(2)19(17(3)14-15)30(25,26)21-8-6-20(7-9-21)22(10-11-27-20)29(23,24)18-5-4-12-28-18/h4-5,12-14H,6-11H2,1-3H3
InChIKeyWYAYIDGAQFSVLT-UHFFFAOYSA-N
MW470.64 g/mol
LogP2.88
Rot. Bonds4

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

4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16830284) has the molecular formula C20H26N2O5S3 and a molecular weight of 470.64 g/mol. Its IUPAC name is 4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16830284
Molecular FormulaC20H26N2O5S3
Molecular Weight470.64 g/mol
Exact Mass470.10
IUPAC Name4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1cc(C)c(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)c(C)c1
InChIInChI=1S/C20H26N2O5S3/c1-15-13-16(2)19(17(3)14-15)30(25,26)21-8-6-20(7-9-21)22(10-11-27-20)29(23,24)18-5-4-12-28-18/h4-5,12-14H,6-11H2,1-3H3
InChIKeyWYAYIDGAQFSVLT-UHFFFAOYSA-N
XLogP2.88
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Mesitylsulfonyl)-8-(methylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384393
8-(Mesitylsulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803306
8-((4-Fluoro-2-methylphenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803326
4-(Thiophen-2-ylsulfonyl)-8-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16812912
8-((2,5-Dimethylphenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830287
4-(Phenylsulfonyl)-8-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577935
4-(Mesitylsulfonyl)-8-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803316
8-((2,5-Difluorophenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577940
8-((4-Fluoro-3-methylphenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803327
8-(Thiophen-2-ylsulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16812908
8-((4-Fluorophenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577941
8-(Phenylsulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577942

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16830284) is 4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)c(C)c1.
What is the InChIKey of 4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is WYAYIDGAQFSVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S3/c1-15-13-16(2)19(17(3)14-15)30(25,26)21-8-6-20(7-9-21)22(10-11-27-20)29(23,24)18-5-4-12-28-18/h4-5,12-14H,6-11H2,1-3H3.
What are the key properties of 4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 470.64 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16830284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).