8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C16H24N2O5S2 — CID 7384390

IUPAC8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O5S2/c1-3-24(19,20)17-10-8-16(9-11-17)18(12-13-23-16)25(21,22)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyCAHQJSUXVVBODJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.16
Rot. Bonds4

About 8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 7384390) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID7384390
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC Name8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O5S2/c1-3-24(19,20)17-10-8-16(9-11-17)18(12-13-23-16)25(21,22)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyCAHQJSUXVVBODJ-UHFFFAOYSA-N
XLogP1.16
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
4-(Thiophen-2-ylsulfonyl)-8-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16812912
4-(Mesitylsulfonyl)-8-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803316
8-(Methylsulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384395
8-(Thiophen-2-ylsulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16812908
8-(Mesitylsulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830284
(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazolidine
CID 53382892
N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118740866
2,6-Dimethyl-4-[(4-methylphenyl)sulfonyl]morpholine
CID 2832225
Carbonic anhydrase inhibitors (CAIs), 4
CID 129012497
8-((4-Fluoro-3-methylphenyl)sulfonyl)-4-(mesitylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803319

Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 7384390) is 8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is CAHQJSUXVVBODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-3-24(19,20)17-10-8-16(9-11-17)18(12-13-23-16)25(21,22)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 388.51 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 7384390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).