methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate

C9H16N4O4S — CID 103943303

IUPACmethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C9H16N4O4S/c1-7(9-10-6-11-12-9)13-18(15,16)5-3-4-8(14)17-2/h6-7,13H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyYLABPDOBRIEHMA-UHFFFAOYSA-N
MW276.32 g/mol
LogP-0.26
Rot. Bonds7

About methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate

methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate (PubChem CID 103943303) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate
PubChem CID103943303
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC Namemethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C9H16N4O4S/c1-7(9-10-6-11-12-9)13-18(15,16)5-3-4-8(14)17-2/h6-7,13H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyYLABPDOBRIEHMA-UHFFFAOYSA-N
XLogP-0.26
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]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

3-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-1-sulfonamide
CID 103885469
2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 106281568
3-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-1-sulfonamide
CID 106283726
methyl 4-[[(1S)-1-(4-fluorophenyl)ethyl]sulfamoyl]butanoate
CID 81350625
methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate
CID 112697354
methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate
CID 81353565
propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate
CID 114167984
methyl 3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 114168223
2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 103827821
methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate
CID 62995687
1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 103885456
methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate
CID 61460199

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate?
The IUPAC name of methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate (CID 103943303) is methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate?
The canonical SMILES for methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate?
The InChIKey is YLABPDOBRIEHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-7(9-10-6-11-12-9)13-18(15,16)5-3-4-8(14)17-2/h6-7,13H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate?
methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate has a molecular weight of 276.32 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate is sourced from PubChem (CID 103943303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).