methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate

C10H15N3O4S — CID 54952595

IUPACmethyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1cc(C)c(N)cn1
InChIInChI=1S/C10H15N3O4S/c1-7-5-9(12-6-8(7)11)13-18(15,16)4-3-10(14)17-2/h5-6H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyHUTBVXFBKPFFHU-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.28
Rot. Bonds5

About methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate

methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate (PubChem CID 54952595) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate
PubChem CID54952595
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Namemethyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1cc(C)c(N)cn1
InChIInChI=1S/C10H15N3O4S/c1-7-5-9(12-6-8(7)11)13-18(15,16)4-3-10(14)17-2/h5-6H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyHUTBVXFBKPFFHU-UHFFFAOYSA-N
XLogP0.28
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate
CID 79734705
methyl 3-[(4-amino-2,5-dimethylphenyl)sulfamoyl]propanoate
CID 103144701
methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate
CID 107596045
5-amino-2-(dimethylsulfamoylamino)-4-methylpyridine
CID 61292614
methyl 3-[(2-aminophenyl)sulfamoyl]propanoate
CID 54952280
N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide
CID 79729788
methyl 3-[(5-bromo-2-methylphenyl)sulfamoyl]propanoate
CID 61061576
N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide
CID 61292986
propan-2-yl N-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]carbamate
CID 114461679
N-(5-amino-4-methyl-2-pyridinyl)acetamide
CID 22063573
ethyl 3-[(2-amino-4,5-dimethylphenyl)sulfamoyl]propanoate
CID 62099108
methyl 4-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]butanoate
CID 61457360

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate (CID 54952595) is methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)Nc1cc(C)c(N)cn1.
What is the InChIKey of methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate?
The InChIKey is HUTBVXFBKPFFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7-5-9(12-6-8(7)11)13-18(15,16)4-3-10(14)17-2/h5-6H,3-4,11H2,1-2H3,(H,12,13).
What are the key properties of methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate?
methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate has a molecular weight of 273.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate is sourced from PubChem (CID 54952595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).