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

C14H20N2O5S2 — CID 7384395

IUPAC4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O5S2/c1-22(17,18)15-9-7-14(8-10-15)16(11-12-21-14)23(19,20)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyNEUGCQPHYANBLI-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.46
Rot. Bonds3

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

4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 7384395) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID7384395
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O5S2/c1-22(17,18)15-9-7-14(8-10-15)16(11-12-21-14)23(19,20)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyNEUGCQPHYANBLI-UHFFFAOYSA-N
XLogP0.46
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 7384395) is 4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is NEUGCQPHYANBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-22(17,18)15-9-7-14(8-10-15)16(11-12-21-14)23(19,20)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 360.46 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-8-methylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 7384395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).