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

C17H26N2O5S2 — CID 7384393

IUPAC8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1cc(C)c(S(=O)(=O)N2CCOC23CCN(S(C)(=O)=O)CC3)c(C)c1
InChIInChI=1S/C17H26N2O5S2/c1-13-11-14(2)16(15(3)12-13)26(22,23)19-9-10-24-17(19)5-7-18(8-6-17)25(4,20)21/h11-12H,5-10H2,1-4H3
InChIKeySZYQCCZQMOWZEU-UHFFFAOYSA-N
MW402.54 g/mol
LogP1.38
Rot. Bonds3

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

8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 7384393) has the molecular formula C17H26N2O5S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID7384393
Molecular FormulaC17H26N2O5S2
Molecular Weight402.54 g/mol
Exact Mass402.13
IUPAC Name8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1cc(C)c(S(=O)(=O)N2CCOC23CCN(S(C)(=O)=O)CC3)c(C)c1
InChIInChI=1S/C17H26N2O5S2/c1-13-11-14(2)16(15(3)12-13)26(22,23)19-9-10-24-17(19)5-7-18(8-6-17)25(4,20)21/h11-12H,5-10H2,1-4H3
InChIKeySZYQCCZQMOWZEU-UHFFFAOYSA-N
XLogP1.38
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-(Mesitylsulfonyl)piperidin-4-yl)-6-methyl-1,3-oxazinane
CID 118308349
8-(Mesitylsulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803306
4-(Mesitylsulfonyl)-8-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803316
4-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 20975181
4-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)morpholine
CID 6489213
8-(Mesitylsulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830284
8-(Ethylsulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384390
8-((4-Fluoro-3-methylphenyl)sulfonyl)-4-(mesitylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803319
4-(Mesitylsulfonyl)morpholine
CID 767626
4,8-Ditosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 43990157
4-Tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 44116841
8-((2,5-Difluorophenyl)sulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803305

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 7384393) is 8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is Cc1cc(C)c(S(=O)(=O)N2CCOC23CCN(S(C)(=O)=O)CC3)c(C)c1.
What is the InChIKey of 8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is SZYQCCZQMOWZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S2/c1-13-11-14(2)16(15(3)12-13)26(22,23)19-9-10-24-17(19)5-7-18(8-6-17)25(4,20)21/h11-12H,5-10H2,1-4H3.
What are the key properties of 8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 402.54 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 7384393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).