4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid

C10H13NO6S2 — CID 63328909

IUPAC4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCOC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C10H13NO6S2/c1-5(10(14)17-3)11-19(15,16)8-4-7(9(12)13)18-6(8)2/h4-5,11H,1-3H3,(H,12,13)/t5-/m0/s1
InChIKeyDIGCUHBOQSPAED-YFKPBYRVSA-N
MW307.35 g/mol
LogP0.59
Rot. Bonds5

About 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 63328909) has the molecular formula C10H13NO6S2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID63328909
Molecular FormulaC10H13NO6S2
Molecular Weight307.35 g/mol
Exact Mass307.02
IUPAC Name4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCOC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C10H13NO6S2/c1-5(10(14)17-3)11-19(15,16)8-4-7(9(12)13)18-6(8)2/h4-5,11H,1-3H3,(H,12,13)/t5-/m0/s1
InChIKeyDIGCUHBOQSPAED-YFKPBYRVSA-N
XLogP0.59
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328902
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
5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 63329090
4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 55203054
4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 107216418
5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63328950
4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 112672388
5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 63329135
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate
CID 47072937
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
5-methyl-4-(pent-1-yn-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114160472

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 63328909) is 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid is COC(=O)[C@H](C)NS(=O)(=O)c1cc(C(=O)O)sc1C.
What is the InChIKey of 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is DIGCUHBOQSPAED-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H13NO6S2/c1-5(10(14)17-3)11-19(15,16)8-4-7(9(12)13)18-6(8)2/h4-5,11H,1-3H3,(H,12,13)/t5-/m0/s1.
What are the key properties of 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63328909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).