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

C15H22N2O6S2 — CID 7384391

IUPAC4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(S(C)(=O)=O)CC3)cc1
InChIInChI=1S/C15H22N2O6S2/c1-22-13-3-5-14(6-4-13)25(20,21)17-11-12-23-15(17)7-9-16(10-8-15)24(2,18)19/h3-6H,7-12H2,1-2H3
InChIKeyWVNNTHHAFOOSCP-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.47
Rot. Bonds4

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

4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 7384391) has the molecular formula C15H22N2O6S2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID7384391
Molecular FormulaC15H22N2O6S2
Molecular Weight390.48 g/mol
Exact Mass390.09
IUPAC Name4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(S(C)(=O)=O)CC3)cc1
InChIInChI=1S/C15H22N2O6S2/c1-22-13-3-5-14(6-4-13)25(20,21)17-11-12-23-15(17)7-9-16(10-8-15)24(2,18)19/h3-6H,7-12H2,1-2H3
InChIKeyWVNNTHHAFOOSCP-UHFFFAOYSA-N
XLogP0.47
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 7384391) is 4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CCOC23CCN(S(C)(=O)=O)CC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is WVNNTHHAFOOSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S2/c1-22-13-3-5-14(6-4-13)25(20,21)17-11-12-23-15(17)7-9-16(10-8-15)24(2,18)19/h3-6H,7-12H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 390.48 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 7384391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).