7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane

C12H20N4O2S — CID 97392923

IUPAC7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane
SMILESCCN1CCC2(C1)CN(S(=O)(=O)c1cn(C)cn1)C2
InChIInChI=1S/C12H20N4O2S/c1-3-15-5-4-12(7-15)8-16(9-12)19(17,18)11-6-14(2)10-13-11/h6,10H,3-5,7-9H2,1-2H3
InChIKeyXLHCICQVGKECJX-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.14
Rot. Bonds3

About 7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane

7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane (PubChem CID 97392923) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane
PubChem CID97392923
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane
SMILESCCN1CCC2(C1)CN(S(=O)(=O)c1cn(C)cn1)C2
InChIInChI=1S/C12H20N4O2S/c1-3-15-5-4-12(7-15)8-16(9-12)19(17,18)11-6-14(2)10-13-11/h6,10H,3-5,7-9H2,1-2H3
InChIKeyXLHCICQVGKECJX-UHFFFAOYSA-N
XLogP0.14
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane (CID 97392923) is 7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane is CCN1CCC2(C1)CN(S(=O)(=O)c1cn(C)cn1)C2.
What is the InChIKey of 7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane?
The InChIKey is XLHCICQVGKECJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-15-5-4-12(7-15)8-16(9-12)19(17,18)11-6-14(2)10-13-11/h6,10H,3-5,7-9H2,1-2H3.
What are the key properties of 7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane?
7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane has a molecular weight of 284.38 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97392923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).