6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid

C12H18N2O5S — CID 63873954

IUPAC6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCCN(C(C)COC)S(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O5S/c1-4-14(9(2)8-19-3)20(17,18)11-6-5-10(7-13-11)12(15)16/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyOACAGMCFRJZSAF-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.83
Rot. Bonds7

About 6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid

6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63873954) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63873954
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCCN(C(C)COC)S(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O5S/c1-4-14(9(2)8-19-3)20(17,18)11-6-5-10(7-13-11)12(15)16/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyOACAGMCFRJZSAF-UHFFFAOYSA-N
XLogP0.83
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873369
6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873942
6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874134
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid
CID 63872994
2-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-4-fluorobenzoic acid
CID 102919462
6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872028
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
CID 61254119
5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide
CID 103192253
4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60952297
6-chlorosulfonylpyridine-3-carboxylic acid
CID 58017306

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid (CID 63873954) is 6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid is CCN(C(C)COC)S(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is OACAGMCFRJZSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-4-14(9(2)8-19-3)20(17,18)11-6-5-10(7-13-11)12(15)16/h5-7,9H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid?
6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63873954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).