1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one

C11H14N2O4S — CID 69088398

IUPAC1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(=O)CC2)cn1
InChIInChI=1S/C11H14N2O4S/c1-17-11-3-2-10(8-12-11)18(15,16)13-6-4-9(14)5-7-13/h2-3,8H,4-7H2,1H3
InChIKeySXBGEGUVHRQAJW-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.44
Rot. Bonds3

About 1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one

1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one (PubChem CID 69088398) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one
PubChem CID69088398
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(=O)CC2)cn1
InChIInChI=1S/C11H14N2O4S/c1-17-11-3-2-10(8-12-11)18(15,16)13-6-4-9(14)5-7-13/h2-3,8H,4-7H2,1H3
InChIKeySXBGEGUVHRQAJW-UHFFFAOYSA-N
XLogP0.44
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
1-(6-methoxy-3-pyridinyl)piperidin-4-one
CID 22000279
ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one
CID 67569957
2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine
CID 146643179
2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine
CID 5268219
2-ethoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268013
2-methoxy-5-methylsulfonylpyridine
CID 13433434
1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
CID 53185153

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one (CID 69088398) is 1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one is COc1ccc(S(=O)(=O)N2CCC(=O)CC2)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one?
The InChIKey is SXBGEGUVHRQAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-17-11-3-2-10(8-12-11)18(15,16)13-6-4-9(14)5-7-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one?
1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one has a molecular weight of 270.31 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one is sourced from PubChem (CID 69088398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).