methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate

C13H18N2O5S — CID 53170566

IUPACmethyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
SMILESCOC(=O)Cn1cc(S(=O)(=O)N2CCCCC2)ccc1=O
InChIInChI=1S/C13H18N2O5S/c1-20-13(17)10-14-9-11(5-6-12(14)16)21(18,19)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyXTQTXAKHCBHSKC-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.20
Rot. Bonds4

About methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate

methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate (PubChem CID 53170566) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
PubChem CID53170566
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Namemethyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
SMILESCOC(=O)Cn1cc(S(=O)(=O)N2CCCCC2)ccc1=O
InChIInChI=1S/C13H18N2O5S/c1-20-13(17)10-14-9-11(5-6-12(14)16)21(18,19)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyXTQTXAKHCBHSKC-UHFFFAOYSA-N
XLogP0.20
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170604
N,N-diethyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170602
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789
N-cycloheptyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 9267746
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 53170636
1-[2-(4-methylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 30343739
N-(4-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170608
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53170639
N-(2-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170607
N-(4-chlorophenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992765
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 16617153
3-amino-2-[2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetyl]but-2-enenitrile
CID 4844918

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate (CID 53170566) is methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate is COC(=O)Cn1cc(S(=O)(=O)N2CCCCC2)ccc1=O.
What is the InChIKey of methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate?
The InChIKey is XTQTXAKHCBHSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-20-13(17)10-14-9-11(5-6-12(14)16)21(18,19)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate?
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate has a molecular weight of 314.36 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate is sourced from PubChem (CID 53170566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).