4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid

C12H18N2O5S2 — CID 106275781

IUPAC4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCNC(=O)C(C)(C)CNS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C12H18N2O5S2/c1-7-9(5-8(20-7)10(15)16)21(18,19)14-6-12(2,3)11(17)13-4/h5,14H,6H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyMGULFWDJNBXQTM-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.81
Rot. Bonds6

About 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 106275781) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID106275781
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCNC(=O)C(C)(C)CNS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C12H18N2O5S2/c1-7-9(5-8(20-7)10(15)16)21(18,19)14-6-12(2,3)11(17)13-4/h5,14H,6H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyMGULFWDJNBXQTM-UHFFFAOYSA-N
XLogP0.81
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
4-[(2-hydroxy-2-methylbutyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 65105337
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
4-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 114167528
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114155436
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239
4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 107216418
4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114331362
5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 63329090
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329093
5-methyl-4-(1,3-thiazol-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 55260464

Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 106275781) is 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid is CNC(=O)C(C)(C)CNS(=O)(=O)c1cc(C(=O)O)sc1C.
What is the InChIKey of 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is MGULFWDJNBXQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-7-9(5-8(20-7)10(15)16)21(18,19)14-6-12(2,3)11(17)13-4/h5,14H,6H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 106275781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).