4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine

C19H27F2N3O4S — CID 170121212

IUPAC4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine
SMILESCc1nc(OC(F)F)ccc1S(=O)(=O)N1CCC2(CC1)CC(N1CCOCC1)C2
InChIInChI=1S/C19H27F2N3O4S/c1-14-16(2-3-17(22-14)28-18(20)21)29(25,26)24-6-4-19(5-7-24)12-15(13-19)23-8-10-27-11-9-23/h2-3,15,18H,4-13H2,1H3
InChIKeyVUWIZCUZLBCFCX-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.26
Rot. Bonds5

About 4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine

4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine (PubChem CID 170121212) has the molecular formula C19H27F2N3O4S and a molecular weight of 431.51 g/mol. Its IUPAC name is 4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine
PubChem CID170121212
Molecular FormulaC19H27F2N3O4S
Molecular Weight431.51 g/mol
Exact Mass431.17
IUPAC Name4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine
SMILESCc1nc(OC(F)F)ccc1S(=O)(=O)N1CCC2(CC1)CC(N1CCOCC1)C2
InChIInChI=1S/C19H27F2N3O4S/c1-14-16(2-3-17(22-14)28-18(20)21)29(25,26)24-6-4-19(5-7-24)12-15(13-19)23-8-10-27-11-9-23/h2-3,15,18H,4-13H2,1H3
InChIKeyVUWIZCUZLBCFCX-UHFFFAOYSA-N
XLogP2.26
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine?
The IUPAC name of 4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine (CID 170121212) is 4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine.
What is the SMILES notation for 4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine?
The canonical SMILES for 4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine is Cc1nc(OC(F)F)ccc1S(=O)(=O)N1CCC2(CC1)CC(N1CCOCC1)C2.
What is the InChIKey of 4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine?
The InChIKey is VUWIZCUZLBCFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O4S/c1-14-16(2-3-17(22-14)28-18(20)21)29(25,26)24-6-4-19(5-7-24)12-15(13-19)23-8-10-27-11-9-23/h2-3,15,18H,4-13H2,1H3.
What are the key properties of 4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine?
4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine has a molecular weight of 431.51 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[[6-(difluoromethoxy)-2-methyl-3-pyridinyl]sulfonyl]-7-azaspiro[3.5]nonan-2-yl]morpholine is sourced from PubChem (CID 170121212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).