1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine

C13H26N2O3S — CID 91653918

IUPAC1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine
SMILESCCS(=O)(=O)N1CC(CN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C13H26N2O3S/c1-4-19(16,17)15-10-12(9-14(2)3)13(11-15)5-7-18-8-6-13/h12H,4-11H2,1-3H3
InChIKeyFUTQYJWMUNLIAF-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.63
Rot. Bonds4

About 1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine

1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine (PubChem CID 91653918) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine
PubChem CID91653918
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine
SMILESCCS(=O)(=O)N1CC(CN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C13H26N2O3S/c1-4-19(16,17)15-10-12(9-14(2)3)13(11-15)5-7-18-8-6-13/h12H,4-11H2,1-3H3
InChIKeyFUTQYJWMUNLIAF-UHFFFAOYSA-N
XLogP0.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine (CID 91653918) is 1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine is CCS(=O)(=O)N1CC(CN(C)C)C2(CCOCC2)C1.
What is the InChIKey of 1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine?
The InChIKey is FUTQYJWMUNLIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-19(16,17)15-10-12(9-14(2)3)13(11-15)5-7-18-8-6-13/h12H,4-11H2,1-3H3.
What are the key properties of 1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine?
1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine has a molecular weight of 290.43 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 91653918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).