6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane

C19H28F2N4O3S — CID 169144182

IUPAC6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCn1nc(C(F)F)cc1S(=O)(=O)N1CCC2(CCC(N3CC4(COC4)C3)C2)CC1
InChIInChI=1S/C19H28F2N4O3S/c1-23-16(8-15(22-23)17(20)21)29(26,27)25-6-4-18(5-7-25)3-2-14(9-18)24-10-19(11-24)12-28-13-19/h8,14,17H,2-7,9-13H2,1H3
InChIKeyVQNMAUOFKUCQED-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.01
Rot. Bonds4

About 6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane

6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 169144182) has the molecular formula C19H28F2N4O3S and a molecular weight of 430.52 g/mol. Its IUPAC name is 6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID169144182
Molecular FormulaC19H28F2N4O3S
Molecular Weight430.52 g/mol
Exact Mass430.19
IUPAC Name6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCn1nc(C(F)F)cc1S(=O)(=O)N1CCC2(CCC(N3CC4(COC4)C3)C2)CC1
InChIInChI=1S/C19H28F2N4O3S/c1-23-16(8-15(22-23)17(20)21)29(26,27)25-6-4-18(5-7-25)3-2-14(9-18)24-10-19(11-24)12-28-13-19/h8,14,17H,2-7,9-13H2,1H3
InChIKeyVQNMAUOFKUCQED-UHFFFAOYSA-N
XLogP2.01
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane (CID 169144182) is 6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane is Cn1nc(C(F)F)cc1S(=O)(=O)N1CCC2(CCC(N3CC4(COC4)C3)C2)CC1.
What is the InChIKey of 6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is VQNMAUOFKUCQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N4O3S/c1-23-16(8-15(22-23)17(20)21)29(26,27)25-6-4-18(5-7-25)3-2-14(9-18)24-10-19(11-24)12-28-13-19/h8,14,17H,2-7,9-13H2,1H3.
What are the key properties of 6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane?
6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 430.52 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 169144182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).