9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one

C12H22N2O3S — CID 97450540

IUPAC9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one
SMILESCCS(=O)(=O)N1CCC2(CCCC(=O)N2C)CC1
InChIInChI=1S/C12H22N2O3S/c1-3-18(16,17)14-9-7-12(8-10-14)6-4-5-11(15)13(12)2/h3-10H2,1-2H3
InChIKeyITPYOIRNWLYONH-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.81
Rot. Bonds2

About 9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one

9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 97450540) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID97450540
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one
SMILESCCS(=O)(=O)N1CCC2(CCCC(=O)N2C)CC1
InChIInChI=1S/C12H22N2O3S/c1-3-18(16,17)14-9-7-12(8-10-14)6-4-5-11(15)13(12)2/h3-10H2,1-2H3
InChIKeyITPYOIRNWLYONH-UHFFFAOYSA-N
XLogP0.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one (CID 97450540) is 9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one is CCS(=O)(=O)N1CCC2(CCCC(=O)N2C)CC1.
What is the InChIKey of 9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is ITPYOIRNWLYONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-3-18(16,17)14-9-7-12(8-10-14)6-4-5-11(15)13(12)2/h3-10H2,1-2H3.
What are the key properties of 9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one?
9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 274.39 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97450540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).