6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane

C18H24N4O2S — CID 155882164

IUPAC6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane
SMILESCCc1ccc(S(=O)(=O)N2CC(c3nncn3C)C3(CCC3)C2)cc1
InChIInChI=1S/C18H24N4O2S/c1-3-14-5-7-15(8-6-14)25(23,24)22-11-16(17-20-19-13-21(17)2)18(12-22)9-4-10-18/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyYKDGKQRYZINMBH-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.34
Rot. Bonds4

About 6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane

6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane (PubChem CID 155882164) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane
PubChem CID155882164
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane
SMILESCCc1ccc(S(=O)(=O)N2CC(c3nncn3C)C3(CCC3)C2)cc1
InChIInChI=1S/C18H24N4O2S/c1-3-14-5-7-15(8-6-14)25(23,24)22-11-16(17-20-19-13-21(17)2)18(12-22)9-4-10-18/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyYKDGKQRYZINMBH-UHFFFAOYSA-N
XLogP2.34
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane with MolForge

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Related Compounds

8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-(3-methylphenyl)sulfonyl-6-azaspiro[3.4]octane
CID 155882306
4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane
CID 146067871
1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
1-(4-butylphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 50958314
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
5-(4-ethylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211625
2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane
CID 146071012
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane
CID 15398609
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride
CID 119980583

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane?
The IUPAC name of 6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane (CID 155882164) is 6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane?
The canonical SMILES for 6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane is CCc1ccc(S(=O)(=O)N2CC(c3nncn3C)C3(CCC3)C2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane?
The InChIKey is YKDGKQRYZINMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-3-14-5-7-15(8-6-14)25(23,24)22-11-16(17-20-19-13-21(17)2)18(12-22)9-4-10-18/h5-8,13,16H,3-4,9-12H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane?
6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane has a molecular weight of 360.48 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)sulfonyl-8-(4-methyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane is sourced from PubChem (CID 155882164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).