ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate

C10H15N3O4S — CID 113391864

IUPACethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)Nc1ncccc1N
InChIInChI=1S/C10H15N3O4S/c1-2-17-9(14)5-7-18(15,16)13-10-8(11)4-3-6-12-10/h3-4,6H,2,5,7,11H2,1H3,(H,12,13)
InChIKeyNLIFJXGQBAEMCU-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.36
Rot. Bonds6

About ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate

ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate (PubChem CID 113391864) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate
PubChem CID113391864
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Nameethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)Nc1ncccc1N
InChIInChI=1S/C10H15N3O4S/c1-2-17-9(14)5-7-18(15,16)13-10-8(11)4-3-6-12-10/h3-4,6H,2,5,7,11H2,1H3,(H,12,13)
InChIKeyNLIFJXGQBAEMCU-UHFFFAOYSA-N
XLogP0.36
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate
CID 54951727
ethyl 3-[(2-amino-4,5-dimethylphenyl)sulfamoyl]propanoate
CID 62099108
ethyl 3-[(3-amino-4-ethylphenyl)sulfamoyl]propanoate
CID 61459123
ethyl 3-[(3-amino-2,6-dimethylphenyl)sulfamoyl]propanoate
CID 61459319
ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate
CID 114073780
methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate
CID 54952273
ethyl 3-[(4-hydroxyphenyl)sulfamoyl]propanoate
CID 54951576
ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate
CID 104742417
methyl 3-[(2-aminophenyl)sulfamoyl]propanoate
CID 54952280
ethyl 3-[[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]sulfamoyl]propanoate
CID 102821599
ethyl 3-[(4-amino-5-chloro-2-methylphenyl)sulfamoyl]propanoate
CID 104667743
ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate
CID 18796228

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate (CID 113391864) is ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)Nc1ncccc1N.
What is the InChIKey of ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate?
The InChIKey is NLIFJXGQBAEMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-2-17-9(14)5-7-18(15,16)13-10-8(11)4-3-6-12-10/h3-4,6H,2,5,7,11H2,1H3,(H,12,13).
What are the key properties of ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate?
ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate has a molecular weight of 273.31 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate is sourced from PubChem (CID 113391864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).