2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid

C12H19N3O4S — CID 107339728

IUPAC2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid
SMILESCCCCN(C)S(=O)(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C12H19N3O4S/c1-3-4-7-15(2)20(18,19)14-11-6-5-10(13-9-11)8-12(16)17/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyFRFQSQUXWCGROP-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.10
Rot. Bonds8

About 2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid

2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid (PubChem CID 107339728) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid
PubChem CID107339728
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid
SMILESCCCCN(C)S(=O)(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C12H19N3O4S/c1-3-4-7-15(2)20(18,19)14-11-6-5-10(13-9-11)8-12(16)17/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyFRFQSQUXWCGROP-UHFFFAOYSA-N
XLogP1.10
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
CID 107339875
2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid
CID 62535155
2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid
CID 61058722
2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid
CID 115296004
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339625
5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine
CID 106073291
2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339860
2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339836
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-(5-formamido-2-pyridinyl)acetic acid
CID 107339372
2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid
CID 107339762

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid (CID 107339728) is 2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid is CCCCN(C)S(=O)(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid?
The InChIKey is FRFQSQUXWCGROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-3-4-7-15(2)20(18,19)14-11-6-5-10(13-9-11)8-12(16)17/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid?
2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid has a molecular weight of 301.37 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).