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

C14H20N2O5S2 — CID 46195181

IUPAC4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1
InChIInChI=1S/C14H20N2O5S2/c1-22(17,18)12-2-4-13(5-3-12)23(19,20)16-10-11-21-14(16)6-8-15-9-7-14/h2-5,15H,6-11H2,1H3
InChIKeyLOSLCPGFAAGMHC-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.19
Rot. Bonds3

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

4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 46195181) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID46195181
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1
InChIInChI=1S/C14H20N2O5S2/c1-22(17,18)12-2-4-13(5-3-12)23(19,20)16-10-11-21-14(16)6-8-15-9-7-14/h2-5,15H,6-11H2,1H3
InChIKeyLOSLCPGFAAGMHC-UHFFFAOYSA-N
XLogP0.19
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(Methylsulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384395
8-(Ethylsulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 7384396
4-(methylsulfanyl)-N-[2-(morpholin-4-yl)ethyl]benzenesulfonamide
CID 6459431
4-(Phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 44116888
N-(2-Methoxyethyl)-4-(piperidine-1-sulfonyl)benzenesulfonamide
CID 3184653
4-(4-Fluorobenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 58245080
8-(4-Fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 59565064
CID 89065399
CID 89065399
8-(4-Fluorophenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 134389575
6,6-Difluoro-4-(3-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 140165454
6-Fluoro-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 140165594
(5R,6R)-6-fluoro-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 140165630

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 46195181) is 4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC23CCNCC3)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is LOSLCPGFAAGMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-22(17,18)12-2-4-13(5-3-12)23(19,20)16-10-11-21-14(16)6-8-15-9-7-14/h2-5,15H,6-11H2,1H3.
What are the key properties of 4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 360.46 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 46195181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).