7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane

C14H21N3O2S — CID 97472694

IUPAC7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
SMILESCCS(=O)(=O)N1CCC2(CN(c3cccc(C)n3)C2)C1
InChIInChI=1S/C14H21N3O2S/c1-3-20(18,19)17-8-7-14(11-17)9-16(10-14)13-6-4-5-12(2)15-13/h4-6H,3,7-11H2,1-2H3
InChIKeyXXMSITQPPOVWEI-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.25
Rot. Bonds3

About 7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane

7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane (PubChem CID 97472694) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
PubChem CID97472694
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
SMILESCCS(=O)(=O)N1CCC2(CN(c3cccc(C)n3)C2)C1
InChIInChI=1S/C14H21N3O2S/c1-3-20(18,19)17-8-7-14(11-17)9-16(10-14)13-6-4-5-12(2)15-13/h4-6H,3,7-11H2,1-2H3
InChIKeyXXMSITQPPOVWEI-UHFFFAOYSA-N
XLogP1.25
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane (CID 97472694) is 7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane is CCS(=O)(=O)N1CCC2(CN(c3cccc(C)n3)C2)C1.
What is the InChIKey of 7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?
The InChIKey is XXMSITQPPOVWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-20(18,19)17-8-7-14(11-17)9-16(10-14)13-6-4-5-12(2)15-13/h4-6H,3,7-11H2,1-2H3.
What are the key properties of 7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane?
7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 295.41 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonyl-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).