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

C9H18N2O3S — CID 58245149

IUPAC4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCOC12CCNCC2
InChIInChI=1S/C9H18N2O3S/c1-2-15(12,13)11-7-8-14-9(11)3-5-10-6-4-9/h10H,2-8H2,1H3
InChIKeyUGEYXXQZXDVAAP-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.25
Rot. Bonds2

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

4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 58245149) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID58245149
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCOC12CCNCC2
InChIInChI=1S/C9H18N2O3S/c1-2-15(12,13)11-7-8-14-9(11)3-5-10-6-4-9/h10H,2-8H2,1H3
InChIKeyUGEYXXQZXDVAAP-UHFFFAOYSA-N
XLogP-0.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 58245205
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CID 58245227
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CID 61547640
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CID 61548441
CID 61548441
CID 70939316
CID 70939316
CID 70954559
CID 70954559
CID 70954562
CID 70954562
CID 91143520
CID 91143520
CID 91268930
CID 91268930
CID 91277554
CID 91277554
CID 123802060
CID 123802060

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 58245149) is 4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is CCS(=O)(=O)N1CCOC12CCNCC2.
What is the InChIKey of 4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is UGEYXXQZXDVAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-15(12,13)11-7-8-14-9(11)3-5-10-6-4-9/h10H,2-8H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 234.32 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 58245149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).