2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane

C9H18N2O2S — CID 66745385

IUPAC2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane
SMILESCCS(=O)(=O)N1CCC2(CCNC2)C1
InChIInChI=1S/C9H18N2O2S/c1-2-14(12,13)11-6-4-9(8-11)3-5-10-7-9/h10H,2-8H2,1H3
InChIKeySWNODLOIRXROPT-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.02
Rot. Bonds2

About 2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane

2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane (PubChem CID 66745385) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane
PubChem CID66745385
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane
SMILESCCS(=O)(=O)N1CCC2(CCNC2)C1
InChIInChI=1S/C9H18N2O2S/c1-2-14(12,13)11-6-4-9(8-11)3-5-10-7-9/h10H,2-8H2,1H3
InChIKeySWNODLOIRXROPT-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane (CID 66745385) is 2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane is CCS(=O)(=O)N1CCC2(CCNC2)C1.
What is the InChIKey of 2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane?
The InChIKey is SWNODLOIRXROPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-14(12,13)11-6-4-9(8-11)3-5-10-7-9/h10H,2-8H2,1H3.
What are the key properties of 2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane?
2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane has a molecular weight of 218.32 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 66745385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).