methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate

C11H16N2O4S — CID 54952273

IUPACmethyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1ncccc1C
InChIInChI=1S/C11H16N2O4S/c1-9-5-3-7-12-11(9)13-18(15,16)8-4-6-10(14)17-2/h3,5,7H,4,6,8H2,1-2H3,(H,12,13)
InChIKeyMNBJVFYJRHCVRX-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.08
Rot. Bonds6

About methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate

methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate (PubChem CID 54952273) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate
PubChem CID54952273
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1ncccc1C
InChIInChI=1S/C11H16N2O4S/c1-9-5-3-7-12-11(9)13-18(15,16)8-4-6-10(14)17-2/h3,5,7H,4,6,8H2,1-2H3,(H,12,13)
InChIKeyMNBJVFYJRHCVRX-UHFFFAOYSA-N
XLogP1.08
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate (CID 54952273) is methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)Nc1ncccc1C.
What is the InChIKey of methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate?
The InChIKey is MNBJVFYJRHCVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-9-5-3-7-12-11(9)13-18(15,16)8-4-6-10(14)17-2/h3,5,7H,4,6,8H2,1-2H3,(H,12,13).
What are the key properties of methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate?
methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate has a molecular weight of 272.33 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate is sourced from PubChem (CID 54952273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).