3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid

C14H23N3O4S — CID 122059482

IUPAC3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
SMILESCCC(CC)NS(=O)(=O)c1ccc(N(C)CCC(=O)O)nc1
InChIInChI=1S/C14H23N3O4S/c1-4-11(5-2)16-22(20,21)12-6-7-13(15-10-12)17(3)9-8-14(18)19/h6-7,10-11,16H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyTYGVHAZLYLTCGX-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.46
Rot. Bonds9

About 3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid

3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid (PubChem CID 122059482) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
PubChem CID122059482
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
SMILESCCC(CC)NS(=O)(=O)c1ccc(N(C)CCC(=O)O)nc1
InChIInChI=1S/C14H23N3O4S/c1-4-11(5-2)16-22(20,21)12-6-7-13(15-10-12)17(3)9-8-14(18)19/h6-7,10-11,16H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyTYGVHAZLYLTCGX-UHFFFAOYSA-N
XLogP1.46
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122064922
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993
2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122058332
2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122060999
N-methyl-6-[methyl(2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133304050
5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 122106763
4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid
CID 83835208
3-[2-[(4-fluorophenyl)sulfonylamino]butanoyl-methylamino]propanoic acid
CID 110496389
2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide
CID 25001370
4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958116
6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341349
3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
CID 115776606

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid (CID 122059482) is 3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid is CCC(CC)NS(=O)(=O)c1ccc(N(C)CCC(=O)O)nc1.
What is the InChIKey of 3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
The InChIKey is TYGVHAZLYLTCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-4-11(5-2)16-22(20,21)12-6-7-13(15-10-12)17(3)9-8-14(18)19/h6-7,10-11,16H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of 3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid has a molecular weight of 329.42 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 122059482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).