methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate

C8H13N3O4S — CID 63564464

IUPACmethyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H13N3O4S/c1-15-7(12)3-2-6-16(13,14)11-8-9-4-5-10-8/h4-5H,2-3,6H2,1H3,(H2,9,10,11)
InChIKeyHHPXFMXCOLMQOP-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.10
Rot. Bonds6

About methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate

methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate (PubChem CID 63564464) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate
PubChem CID63564464
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Namemethyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H13N3O4S/c1-15-7(12)3-2-6-16(13,14)11-8-9-4-5-10-8/h4-5H,2-3,6H2,1H3,(H2,9,10,11)
InChIKeyHHPXFMXCOLMQOP-UHFFFAOYSA-N
XLogP0.10
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate
CID 54952273
methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate
CID 79734705
methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate
CID 61460236
methyl 4-[(3-amino-2,4-dimethylphenyl)sulfamoyl]butanoate
CID 61457341
methyl 4-[(2-hydroxy-4-methoxyphenyl)sulfamoyl]butanoate
CID 102695904
2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339625
methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate
CID 103943303
6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643110
methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate
CID 61460718
methyl 4-[(4-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460482
N-(ethylsulfonimidoyl)-1H-imidazol-2-amine
CID 164657237
methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate
CID 107605578

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate (CID 63564464) is methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)Nc1ncc[nH]1.
What is the InChIKey of methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate?
The InChIKey is HHPXFMXCOLMQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-15-7(12)3-2-6-16(13,14)11-8-9-4-5-10-8/h4-5H,2-3,6H2,1H3,(H2,9,10,11).
What are the key properties of methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate?
methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate has a molecular weight of 247.28 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate is sourced from PubChem (CID 63564464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).