1-pyridin-2-ylsulfonylazocan-3-one

C12H16N2O3S — CID 142005243

IUPAC1-pyridin-2-ylsulfonylazocan-3-one
SMILESO=C1CCCCCN(S(=O)(=O)c2ccccn2)C1
InChIInChI=1S/C12H16N2O3S/c15-11-6-2-1-5-9-14(10-11)18(16,17)12-7-3-4-8-13-12/h3-4,7-8H,1-2,5-6,9-10H2
InChIKeyYNGGIDZJIKKPNG-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.22
Rot. Bonds2

About 1-pyridin-2-ylsulfonylazocan-3-one

1-pyridin-2-ylsulfonylazocan-3-one (PubChem CID 142005243) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-pyridin-2-ylsulfonylazocan-3-one.

Molecular Properties

Compound Name1-pyridin-2-ylsulfonylazocan-3-one
PubChem CID142005243
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-pyridin-2-ylsulfonylazocan-3-one
SMILESO=C1CCCCCN(S(=O)(=O)c2ccccn2)C1
InChIInChI=1S/C12H16N2O3S/c15-11-6-2-1-5-9-14(10-11)18(16,17)12-7-3-4-8-13-12/h3-4,7-8H,1-2,5-6,9-10H2
InChIKeyYNGGIDZJIKKPNG-UHFFFAOYSA-N
XLogP1.22
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(3S)-1-pyridin-2-ylsulfonylpiperidin-3-amine
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1-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)cyclopentane-1-carboxamide
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1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 91660222
N-[(2S)-3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]cyclobutanecarboxamide
CID 59073604
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide
CID 166348760
2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-one
CID 115275101
cyclobutane;pyridine-2-sulfonamide
CID 175429056
(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
CID 86331843
(3S,4S)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine
CID 177300179
(2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
CID 69308262

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylsulfonylazocan-3-one?
The IUPAC name of 1-pyridin-2-ylsulfonylazocan-3-one (CID 142005243) is 1-pyridin-2-ylsulfonylazocan-3-one.
What is the SMILES notation for 1-pyridin-2-ylsulfonylazocan-3-one?
The canonical SMILES for 1-pyridin-2-ylsulfonylazocan-3-one is O=C1CCCCCN(S(=O)(=O)c2ccccn2)C1.
What is the InChIKey of 1-pyridin-2-ylsulfonylazocan-3-one?
The InChIKey is YNGGIDZJIKKPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-11-6-2-1-5-9-14(10-11)18(16,17)12-7-3-4-8-13-12/h3-4,7-8H,1-2,5-6,9-10H2.
What are the key properties of 1-pyridin-2-ylsulfonylazocan-3-one?
1-pyridin-2-ylsulfonylazocan-3-one has a molecular weight of 268.34 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylsulfonylazocan-3-one is sourced from PubChem (CID 142005243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).