4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane

C15H24N4O2S — CID 146067871

IUPAC4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane
SMILESCCS(=O)(=O)N1CC(c2nncn2C2CC2)C2(CCCC2)C1
InChIInChI=1S/C15H24N4O2S/c1-2-22(20,21)18-9-13(15(10-18)7-3-4-8-15)14-17-16-11-19(14)12-5-6-12/h11-13H,2-10H2,1H3
InChIKeyWHDNZZMJEUNJQQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.92
Rot. Bonds4

About 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane

4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane (PubChem CID 146067871) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane
PubChem CID146067871
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane
SMILESCCS(=O)(=O)N1CC(c2nncn2C2CC2)C2(CCCC2)C1
InChIInChI=1S/C15H24N4O2S/c1-2-22(20,21)18-9-13(15(10-18)7-3-4-8-15)14-17-16-11-19(14)12-5-6-12/h11-13H,2-10H2,1H3
InChIKeyWHDNZZMJEUNJQQ-UHFFFAOYSA-N
XLogP1.92
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane?
The IUPAC name of 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane (CID 146067871) is 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane.
What is the SMILES notation for 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane?
The canonical SMILES for 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane is CCS(=O)(=O)N1CC(c2nncn2C2CC2)C2(CCCC2)C1.
What is the InChIKey of 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane?
The InChIKey is WHDNZZMJEUNJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-22(20,21)18-9-13(15(10-18)7-3-4-8-15)14-17-16-11-19(14)12-5-6-12/h11-13H,2-10H2,1H3.
What are the key properties of 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane?
4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane has a molecular weight of 324.45 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 146067871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).