3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid

C11H14N2O5S2 — CID 63285895

IUPAC3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOCCN(CCC#N)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H14N2O5S2/c1-18-7-6-13(5-2-4-12)20(16,17)9-3-8-19-10(9)11(14)15/h3,8H,2,5-7H2,1H3,(H,14,15)
InChIKeyDHORBCXUVFYPAL-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.00
Rot. Bonds8

About 3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid

3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63285895) has the molecular formula C11H14N2O5S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63285895
Molecular FormulaC11H14N2O5S2
Molecular Weight318.38 g/mol
Exact Mass318.03
IUPAC Name3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOCCN(CCC#N)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H14N2O5S2/c1-18-7-6-13(5-2-4-12)20(16,17)9-3-8-19-10(9)11(14)15/h3,8H,2,5-7H2,1H3,(H,14,15)
InChIKeyDHORBCXUVFYPAL-UHFFFAOYSA-N
XLogP1.00
TPSA107.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43089813
3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748749
4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618347
3-(dibutylsulfamoyl)thiophene-2-carboxylic acid
CID 43145434
3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61060900
2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63285665
5-amino-2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 65206601
5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide
CID 63287106
5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
CID 103099958
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759
N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide
CID 63286781
3-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]propanenitrile
CID 55170555

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 63285895) is 3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid is COCCN(CCC#N)S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is DHORBCXUVFYPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S2/c1-18-7-6-13(5-2-4-12)20(16,17)9-3-8-19-10(9)11(14)15/h3,8H,2,5-7H2,1H3,(H,14,15).
What are the key properties of 3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63285895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).