5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid

C13H20N2O4S2 — CID 114515088

IUPAC5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN1CCC(CCNS(=O)(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-15-8-5-10(6-9-15)4-7-14-21(18,19)12-3-2-11(20-12)13(16)17/h2-3,10,14H,4-9H2,1H3,(H,16,17)
InChIKeyPUBMWOUHMBVWOS-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.46
Rot. Bonds6

About 5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid

5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 114515088) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID114515088
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN1CCC(CCNS(=O)(=O)c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-15-8-5-10(6-9-15)4-7-14-21(18,19)12-3-2-11(20-12)13(16)17/h2-3,10,14H,4-9H2,1H3,(H,16,17)
InChIKeyPUBMWOUHMBVWOS-UHFFFAOYSA-N
XLogP1.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 62976488
5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907129
5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide
CID 53103756
5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61462775
5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 113412441
5-(aminomethyl)-2-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082684
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114615365
5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114107579
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide
CID 5016701
N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 56921270
5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61027372
5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid
CID 106003735

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 114515088) is 5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is CN1CCC(CCNS(=O)(=O)c2ccc(C(=O)O)s2)CC1.
What is the InChIKey of 5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is PUBMWOUHMBVWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-15-8-5-10(6-9-15)4-7-14-21(18,19)12-3-2-11(20-12)13(16)17/h2-3,10,14H,4-9H2,1H3,(H,16,17).
What are the key properties of 5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 332.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 114515088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).