4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid

C12H20N2O4S2 — CID 61062567

IUPAC4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C12H20N2O4S2/c1-12(2,8-14(3)4)7-13-20(17,18)9-5-10(11(15)16)19-6-9/h5-6,13H,7-8H2,1-4H3,(H,15,16)
InChIKeyCNSKDVPWNOEAOT-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.31
Rot. Bonds7

About 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid

4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61062567) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61062567
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC Name4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C12H20N2O4S2/c1-12(2,8-14(3)4)7-13-20(17,18)9-5-10(11(15)16)19-6-9/h5-6,13H,7-8H2,1-4H3,(H,15,16)
InChIKeyCNSKDVPWNOEAOT-UHFFFAOYSA-N
XLogP1.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
CID 29293310
6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 63872779
4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 82945758
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345
4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
CID 104654649
4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106168486
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242
4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106095780
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8716905

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid (CID 61062567) is 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid is CN(C)CC(C)(C)CNS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is CNSKDVPWNOEAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-12(2,8-14(3)4)7-13-20(17,18)9-5-10(11(15)16)19-6-9/h5-6,13H,7-8H2,1-4H3,(H,15,16).
What are the key properties of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid?
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 320.44 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61062567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).