methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate

C9H15N3O4S2 — CID 107641516

IUPACmethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate
SMILESCCc1nnc(NS(=O)(=O)CCCC(=O)OC)s1
InChIInChI=1S/C9H15N3O4S2/c1-3-7-10-11-9(17-7)12-18(14,15)6-4-5-8(13)16-2/h3-6H2,1-2H3,(H,11,12)
InChIKeyQOLOOKDKLVGSHW-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.80
Rot. Bonds7

About methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate

methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate (PubChem CID 107641516) has the molecular formula C9H15N3O4S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate
PubChem CID107641516
Molecular FormulaC9H15N3O4S2
Molecular Weight293.37 g/mol
Exact Mass293.05
IUPAC Namemethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate
SMILESCCc1nnc(NS(=O)(=O)CCCC(=O)OC)s1
InChIInChI=1S/C9H15N3O4S2/c1-3-7-10-11-9(17-7)12-18(14,15)6-4-5-8(13)16-2/h3-6H2,1-2H3,(H,11,12)
InChIKeyQOLOOKDKLVGSHW-UHFFFAOYSA-N
XLogP0.80
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid
CID 107641511
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide
CID 75379098
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide
CID 82176565
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide
CID 100668013
methyl 2-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]sulfanylacetate
CID 7163793
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 19029493
methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate
CID 63564464
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoylmethyl]benzoic acid
CID 107641494
methyl 4-[2-(3-methoxypropylsulfonylamino)-1,3-thiazol-4-yl]butanoate
CID 80655416
methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate
CID 61460458
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000129

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate (CID 107641516) is methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate is CCc1nnc(NS(=O)(=O)CCCC(=O)OC)s1.
What is the InChIKey of methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate?
The InChIKey is QOLOOKDKLVGSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S2/c1-3-7-10-11-9(17-7)12-18(14,15)6-4-5-8(13)16-2/h3-6H2,1-2H3,(H,11,12).
What are the key properties of methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate?
methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate has a molecular weight of 293.37 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate is sourced from PubChem (CID 107641516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).