4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid

C11H17N3O4S — CID 43710941

IUPAC4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid
SMILESCN(C)c1ncccc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H17N3O4S/c1-14(2)11-9(5-3-7-12-11)13-19(17,18)8-4-6-10(15)16/h3,5,7,13H,4,6,8H2,1-2H3,(H,15,16)
InChIKeyNRUQQEKQSFSXDB-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.75
Rot. Bonds7

About 4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid

4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid (PubChem CID 43710941) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid
PubChem CID43710941
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid
SMILESCN(C)c1ncccc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H17N3O4S/c1-14(2)11-9(5-3-7-12-11)13-19(17,18)8-4-6-10(15)16/h3,5,7,13H,4,6,8H2,1-2H3,(H,15,16)
InChIKeyNRUQQEKQSFSXDB-UHFFFAOYSA-N
XLogP0.75
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid
CID 43361748
3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid
CID 62230948
3-amino-4-[[2-(dimethylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 64896477
4-(pyridin-3-ylsulfamoyl)butanoic acid
CID 28773517
4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide
CID 63308102
6-amino-N-[2-(dimethylamino)-3-pyridinyl]hexanamide
CID 43706742
2-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569324
N-[2-(dimethylamino)-3-pyridinyl]-5-hydroxypentanamide
CID 79199831
5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60912283
4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid
CID 82731751
3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid
CID 43699684

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid (CID 43710941) is 4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid is CN(C)c1ncccc1NS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid?
The InChIKey is NRUQQEKQSFSXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-14(2)11-9(5-3-7-12-11)13-19(17,18)8-4-6-10(15)16/h3,5,7,13H,4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid?
4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 43710941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).