3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid

C13H22N2O4S2 — CID 43235766

IUPAC3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)N(CCNS(=O)(=O)c1ccsc1C(=O)O)C(C)C
InChIInChI=1S/C13H22N2O4S2/c1-9(2)15(10(3)4)7-6-14-21(18,19)11-5-8-20-12(11)13(16)17/h5,8-10,14H,6-7H2,1-4H3,(H,16,17)
InChIKeyBEGOIDFICHSQKD-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.84
Rot. Bonds8

About 3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid

3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43235766) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID43235766
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC Name3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)N(CCNS(=O)(=O)c1ccsc1C(=O)O)C(C)C
InChIInChI=1S/C13H22N2O4S2/c1-9(2)15(10(3)4)7-6-14-21(18,19)11-5-8-20-12(11)13(16)17/h5,8-10,14H,6-7H2,1-4H3,(H,16,17)
InChIKeyBEGOIDFICHSQKD-UHFFFAOYSA-N
XLogP1.84
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
CID 107316565
3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 60925499
3-(4,4,4-trifluorobutylsulfamoyl)thiophene-2-carboxylic acid
CID 113326823
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 62499441
3-[(4-ethoxy-4-oxobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709040
3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 54950851
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979
3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 114169173

Frequently Asked Questions

What is the IUPAC name of 3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid (CID 43235766) is 3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid is CC(C)N(CCNS(=O)(=O)c1ccsc1C(=O)O)C(C)C.
What is the InChIKey of 3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is BEGOIDFICHSQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-9(2)15(10(3)4)7-6-14-21(18,19)11-5-8-20-12(11)13(16)17/h5,8-10,14H,6-7H2,1-4H3,(H,16,17).
What are the key properties of 3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid?
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 334.46 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43235766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).