5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid

C10H16N2O4S2 — CID 43314407

IUPAC5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCCN(C)C)sc1C(=O)O
InChIInChI=1S/C10H16N2O4S2/c1-7-6-8(17-9(7)10(13)14)18(15,16)11-4-5-12(2)3/h6,11H,4-5H2,1-3H3,(H,13,14)
InChIKeyPIKUIPFTTXMUNO-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.59
Rot. Bonds6

About 5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 43314407) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID43314407
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCCN(C)C)sc1C(=O)O
InChIInChI=1S/C10H16N2O4S2/c1-7-6-8(17-9(7)10(13)14)18(15,16)11-4-5-12(2)3/h6,11H,4-5H2,1-3H3,(H,13,14)
InChIKeyPIKUIPFTTXMUNO-UHFFFAOYSA-N
XLogP0.59
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyanoethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 55102481
5-[(4-amino-4-oxobutyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60863201
3-methyl-5-(5-methylhexylsulfamoyl)thiophene-2-carboxylic acid
CID 115325049
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
CID 43314508
5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903686
5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 66170587
5-[(4-hydroxyphenyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 114331333
5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 104654476
5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311185
5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 127020813
5-[(1-hydroxycyclopentyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 65105762

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 43314407) is 5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NCCN(C)C)sc1C(=O)O.
What is the InChIKey of 5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is PIKUIPFTTXMUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-7-6-8(17-9(7)10(13)14)18(15,16)11-4-5-12(2)3/h6,11H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43314407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).