methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate

C11H15BrN2O4S2 — CID 65188352

IUPACmethyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC(CN)C2CC2)c(Br)s1
InChIInChI=1S/C11H15BrN2O4S2/c1-18-11(15)8-4-9(10(12)19-8)20(16,17)14-7(5-13)6-2-3-6/h4,6-7,14H,2-3,5,13H2,1H3
InChIKeyNDDYSZAXDLKTQW-UHFFFAOYSA-N
MW383.29 g/mol
LogP1.31
Rot. Bonds6

About methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate

methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate (PubChem CID 65188352) has the molecular formula C11H15BrN2O4S2 and a molecular weight of 383.29 g/mol. Its IUPAC name is methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate
PubChem CID65188352
Molecular FormulaC11H15BrN2O4S2
Molecular Weight383.29 g/mol
Exact Mass381.97
IUPAC Namemethyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC(CN)C2CC2)c(Br)s1
InChIInChI=1S/C11H15BrN2O4S2/c1-18-11(15)8-4-9(10(12)19-8)20(16,17)14-7(5-13)6-2-3-6/h4,6-7,14H,2-3,5,13H2,1H3
InChIKeyNDDYSZAXDLKTQW-UHFFFAOYSA-N
XLogP1.31
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-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

methyl 4-[(2-amino-1-cyclopropylethyl)-methylsulfamoyl]-5-bromothiophene-2-carboxylate
CID 116652174
methyl 5-bromo-4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]thiophene-2-carboxylate
CID 63298803
methyl 5-[(2-amino-1-cyclopentylethyl)sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 120585239
(2S)-2-[(2-bromo-5-methoxycarbonylthiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61142027
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119986592
5-bromo-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 43714248
5-bromo-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 60780487
(2R)-2-[(2-bromo-5-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid
CID 107564848
methyl 5-bromo-4-[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 61247521
methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate
CID 64591938
methyl 5-bromo-4-[(4-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylate
CID 43428154
ethyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-3-bromobenzoate
CID 119987029

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate?
The IUPAC name of methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate (CID 65188352) is methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate?
The canonical SMILES for methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NC(CN)C2CC2)c(Br)s1.
What is the InChIKey of methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate?
The InChIKey is NDDYSZAXDLKTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S2/c1-18-11(15)8-4-9(10(12)19-8)20(16,17)14-7(5-13)6-2-3-6/h4,6-7,14H,2-3,5,13H2,1H3.
What are the key properties of methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate?
methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate has a molecular weight of 383.29 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate is sourced from PubChem (CID 65188352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).