4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid

C12H18N2O4S — CID 82731751

IUPAC4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid
SMILESCCc1cccnc1CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-2-10-5-3-7-13-11(10)9-14-19(17,18)8-4-6-12(15)16/h3,5,7,14H,2,4,6,8-9H2,1H3,(H,15,16)
InChIKeyQGBPMDACBREWED-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.93
Rot. Bonds8

About 4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid

4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid (PubChem CID 82731751) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid
PubChem CID82731751
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid
SMILESCCc1cccnc1CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-2-10-5-3-7-13-11(10)9-14-19(17,18)8-4-6-12(15)16/h3,5,7,14H,2,4,6,8-9H2,1H3,(H,15,16)
InChIKeyQGBPMDACBREWED-UHFFFAOYSA-N
XLogP0.93
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106076084
4-[(2-propan-2-yloxy-3-pyridinyl)methylsulfamoyl]butanoic acid
CID 61374419
4-[(4-methylphenyl)methylsulfamoyl]butanoic acid
CID 28513518
4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide
CID 116816179
5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 82732518
4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid
CID 43710941
2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82737778
4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid
CID 28513568
4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid
CID 106032725
2,3-diethylpyridine
CID 14747123
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82742611

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid (CID 82731751) is 4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid is CCc1cccnc1CNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid?
The InChIKey is QGBPMDACBREWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-10-5-3-7-13-11(10)9-14-19(17,18)8-4-6-12(15)16/h3,5,7,14H,2,4,6,8-9H2,1H3,(H,15,16).
What are the key properties of 4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid?
4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid has a molecular weight of 286.35 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid is sourced from PubChem (CID 82731751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).