methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate

C11H15ClN2O5S — CID 64606547

IUPACmethyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O5S/c1-7(2)14(6-10(15)19-3)20(17,18)8-4-9(12)11(16)13-5-8/h4-5,7H,6H2,1-3H3,(H,13,16)
InChIKeyNVKDXTJMOWWPIJ-UHFFFAOYSA-N
MW322.77 g/mol
LogP0.60
Rot. Bonds5

About methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate

methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate (PubChem CID 64606547) has the molecular formula C11H15ClN2O5S and a molecular weight of 322.77 g/mol. Its IUPAC name is methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate
PubChem CID64606547
Molecular FormulaC11H15ClN2O5S
Molecular Weight322.77 g/mol
Exact Mass322.04
IUPAC Namemethyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O5S/c1-7(2)14(6-10(15)19-3)20(17,18)8-4-9(12)11(16)13-5-8/h4-5,7H,6H2,1-3H3,(H,13,16)
InChIKeyNVKDXTJMOWWPIJ-UHFFFAOYSA-N
XLogP0.60
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606757
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608264
methyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-propan-2-ylamino]acetate
CID 78878000
methyl 2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 54942029
5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 113499786
methyl (2S)-2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-3-methylbutanoate
CID 64607131
5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102700034
4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 61073938
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide
CID 64606928
N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide
CID 64608272
methyl 2-[(4-cyano-3-methylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 106833054
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
CID 102995739

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate (CID 64606547) is methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate is COC(=O)CN(C(C)C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate?
The InChIKey is NVKDXTJMOWWPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O5S/c1-7(2)14(6-10(15)19-3)20(17,18)8-4-9(12)11(16)13-5-8/h4-5,7H,6H2,1-3H3,(H,13,16).
What are the key properties of methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate?
methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate has a molecular weight of 322.77 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-propan-2-ylamino]acetate is sourced from PubChem (CID 64606547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).