4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane

C19H22N2O5S2 — CID 16830278

IUPAC4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O5S2/c22-27(23,17-7-3-1-4-8-17)20-13-11-19(12-14-20)21(15-16-26-19)28(24,25)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyMKRAROAIABQJCJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.89
Rot. Bonds4

About 4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane

4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16830278) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16830278
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC Name4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O5S2/c22-27(23,17-7-3-1-4-8-17)20-13-11-19(12-14-20)21(15-16-26-19)28(24,25)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyMKRAROAIABQJCJ-UHFFFAOYSA-N
XLogP1.89
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Dimethyl-4-[1-(phenylsulfonyl)-4-piperidinyl]morpholine
CID 660754
4-[3-(Piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 1456422
8-(Mesitylsulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803306
4-(Phenylsulfonyl)-8-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577935
4-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
CID 1168274
4-(Mesitylsulfonyl)-8-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803316
4-[3-(2-Methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3214675
8-(Methylsulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384395
8-(Phenylsulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577942
8-(Ethylsulfonyl)-4-tosyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384390
8-((2,5-Difluorophenyl)sulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803321
8-(Ethylsulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384396

Frequently Asked Questions

What is the IUPAC name of 4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane (CID 16830278) is 4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1ccccc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is MKRAROAIABQJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c22-27(23,17-7-3-1-4-8-17)20-13-11-19(12-14-20)21(15-16-26-19)28(24,25)18-9-5-2-6-10-18/h1-10H,11-16H2.
What are the key properties of 4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane?
4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 422.53 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16830278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).