2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane

C15H22F2N4O3S — CID 169161032

IUPAC2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
SMILESCn1nc(C(F)F)cc1S(=O)(=O)N1CC2(CN(C3CCOCC3)C2)C1
InChIInChI=1S/C15H22F2N4O3S/c1-19-13(6-12(18-19)14(16)17)25(22,23)21-9-15(10-21)7-20(8-15)11-2-4-24-5-3-11/h6,11,14H,2-5,7-10H2,1H3
InChIKeyLFWBRBPDOYUEFY-UHFFFAOYSA-N
MW376.43 g/mol
LogP0.84
Rot. Bonds4

About 2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane

2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane (PubChem CID 169161032) has the molecular formula C15H22F2N4O3S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
PubChem CID169161032
Molecular FormulaC15H22F2N4O3S
Molecular Weight376.43 g/mol
Exact Mass376.14
IUPAC Name2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
SMILESCn1nc(C(F)F)cc1S(=O)(=O)N1CC2(CN(C3CCOCC3)C2)C1
InChIInChI=1S/C15H22F2N4O3S/c1-19-13(6-12(18-19)14(16)17)25(22,23)21-9-15(10-21)7-20(8-15)11-2-4-24-5-3-11/h6,11,14H,2-5,7-10H2,1H3
InChIKeyLFWBRBPDOYUEFY-UHFFFAOYSA-N
XLogP0.84
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane (CID 169161032) is 2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane is Cn1nc(C(F)F)cc1S(=O)(=O)N1CC2(CN(C3CCOCC3)C2)C1.
What is the InChIKey of 2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is LFWBRBPDOYUEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O3S/c1-19-13(6-12(18-19)14(16)17)25(22,23)21-9-15(10-21)7-20(8-15)11-2-4-24-5-3-11/h6,11,14H,2-5,7-10H2,1H3.
What are the key properties of 2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 376.43 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 169161032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).