methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate

C9H14N2O4S2 — CID 43605768

IUPACmethyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCCN
InChIInChI=1S/C9H14N2O4S2/c1-15-9(12)8-7(3-6-16-8)17(13,14)11-5-2-4-10/h3,6,11H,2,4-5,10H2,1H3
InChIKeyZFXASJGTJMAENI-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.16
Rot. Bonds6

About methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate

methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate (PubChem CID 43605768) has the molecular formula C9H14N2O4S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
PubChem CID43605768
Molecular FormulaC9H14N2O4S2
Molecular Weight278.36 g/mol
Exact Mass278.04
IUPAC Namemethyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCCN
InChIInChI=1S/C9H14N2O4S2/c1-15-9(12)8-7(3-6-16-8)17(13,14)11-5-2-4-10/h3,6,11H,2,4-5,10H2,1H3
InChIKeyZFXASJGTJMAENI-UHFFFAOYSA-N
XLogP0.16
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 3-(hexylsulfamoyl)thiophene-2-carboxylate;molecular hydrogen;propane
CID 142506326
methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate
CID 3761777
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate
CID 112673568
methyl 3-(3-aminopropylsulfamoyl)-2-methylbenzoate
CID 119962127
methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
CID 18148668
3-[(4-ethoxy-4-oxobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709040
methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 3699579
methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 18148608
methyl 4-(3-aminopropylsulfamoyl)-3-chlorobenzoate
CID 119962169

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate (CID 43605768) is methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCCCN.
What is the InChIKey of methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is ZFXASJGTJMAENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S2/c1-15-9(12)8-7(3-6-16-8)17(13,14)11-5-2-4-10/h3,6,11H,2,4-5,10H2,1H3.
What are the key properties of methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate?
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 43605768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).