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

C15H22N2O5S2 — CID 7384396

IUPAC4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22N2O5S2/c1-2-23(18,19)16-10-8-15(9-11-16)17(12-13-22-15)24(20,21)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyQYUXPZJJHVXGCE-UHFFFAOYSA-N
MW374.48 g/mol
LogP0.85
Rot. Bonds4

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

4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 7384396) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID7384396
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC Name4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22N2O5S2/c1-2-23(18,19)16-10-8-15(9-11-16)17(12-13-22-15)24(20,21)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyQYUXPZJJHVXGCE-UHFFFAOYSA-N
XLogP0.85
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 7384396) is 4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is QYUXPZJJHVXGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-2-23(18,19)16-10-8-15(9-11-16)17(12-13-22-15)24(20,21)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 374.48 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-8-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 7384396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).