2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane

C15H21F3N4O3S — CID 169160974

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane
SMILESCn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC2(CN(CC3CCOC3)C2)C1
InChIInChI=1S/C15H21F3N4O3S/c1-20-13(4-12(19-20)15(16,17)18)26(23,24)22-9-14(10-22)7-21(8-14)5-11-2-3-25-6-11/h4,11H,2-3,5-10H2,1H3
InChIKeyZIUKAPSBAAROJO-UHFFFAOYSA-N
MW394.42 g/mol
LogP0.78
Rot. Bonds4

About 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane (PubChem CID 169160974) has the molecular formula C15H21F3N4O3S and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane
PubChem CID169160974
Molecular FormulaC15H21F3N4O3S
Molecular Weight394.42 g/mol
Exact Mass394.13
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane
SMILESCn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC2(CN(CC3CCOC3)C2)C1
InChIInChI=1S/C15H21F3N4O3S/c1-20-13(4-12(19-20)15(16,17)18)26(23,24)22-9-14(10-22)7-21(8-14)5-11-2-3-25-6-11/h4,11H,2-3,5-10H2,1H3
InChIKeyZIUKAPSBAAROJO-UHFFFAOYSA-N
XLogP0.78
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane (CID 169160974) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane is Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CC2(CN(CC3CCOC3)C2)C1.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is ZIUKAPSBAAROJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O3S/c1-20-13(4-12(19-20)15(16,17)18)26(23,24)22-9-14(10-22)7-21(8-14)5-11-2-3-25-6-11/h4,11H,2-3,5-10H2,1H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane?
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 394.42 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-6-(oxolan-3-ylmethyl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 169160974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).