methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate

C10H16N2O4S2 — CID 120583848

IUPACmethyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCCCN)cs1
InChIInChI=1S/C10H16N2O4S2/c1-16-10(13)9-6-8(7-17-9)18(14,15)12-5-3-2-4-11/h6-7,12H,2-5,11H2,1H3
InChIKeyKUNDWSOWUSTEJW-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.55
Rot. Bonds7

About methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate

methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate (PubChem CID 120583848) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate
PubChem CID120583848
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Namemethyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCCCN)cs1
InChIInChI=1S/C10H16N2O4S2/c1-16-10(13)9-6-8(7-17-9)18(14,15)12-5-3-2-4-11/h6-7,12H,2-5,11H2,1H3
InChIKeyKUNDWSOWUSTEJW-UHFFFAOYSA-N
XLogP0.55
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate 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

4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
methyl 5-(4-aminobutylsulfamoyl)furan-3-carboxylate;hydrochloride
CID 120583285
methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 120719871
4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61063461
4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
CID 104654649
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
methyl 4-(3-aminopropylsulfamoyl)-2-methoxybenzoate;hydrochloride
CID 120706751
4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345
N-(4-aminobutyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120583345
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 115588760
methyl 3-(4-aminobutylsulfamoyl)-2-methylbenzoate
CID 120583645

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate (CID 120583848) is methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCCCN)cs1.
What is the InChIKey of methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is KUNDWSOWUSTEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-16-10(13)9-6-8(7-17-9)18(14,15)12-5-3-2-4-11/h6-7,12H,2-5,11H2,1H3.
What are the key properties of methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate?
methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 120583848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).