3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid

C10H14N2O5S2 — CID 43402887

IUPAC3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C10H14N2O5S2/c1-6(2)12(5-8(11)13)19(16,17)7-3-4-18-9(7)10(14)15/h3-4,6H,5H2,1-2H3,(H2,11,13)(H,14,15)
InChIKeyQCWWAQMKEBVMEE-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.33
Rot. Bonds6

About 3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid

3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43402887) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID43402887
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Name3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C10H14N2O5S2/c1-6(2)12(5-8(11)13)19(16,17)7-3-4-18-9(7)10(14)15/h3-4,6H,5H2,1-2H3,(H2,11,13)(H,14,15)
InChIKeyQCWWAQMKEBVMEE-UHFFFAOYSA-N
XLogP0.33
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methylpropyl(pentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 79490962
3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61060900
2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
CID 115684041
3-(dibutylsulfamoyl)thiophene-2-carboxylic acid
CID 43145434
2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 43576037
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
CID 60911348
2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide
CID 43578991
4-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]-2-chlorobenzoic acid
CID 107089932
3-sulfothiophene-2-carboxylic acid;hydrochloride
CID 174927942
3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43294757
3-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103494323
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235766

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid (CID 43402887) is 3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid is CC(C)N(CC(N)=O)S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is QCWWAQMKEBVMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-6(2)12(5-8(11)13)19(16,17)7-3-4-18-9(7)10(14)15/h3-4,6H,5H2,1-2H3,(H2,11,13)(H,14,15).
What are the key properties of 3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43402887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).