2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid

C13H20N2O4S2 — CID 29284864

IUPAC2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(CC(=O)O)s2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-14-7-5-10(6-8-14)15(2)21(18,19)13-4-3-11(20-13)9-12(16)17/h3-4,10H,5-9H2,1-2H3,(H,16,17)
InChIKeyUQJGUDBGOLWZAM-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.09
Rot. Bonds5

About 2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 29284864) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID29284864
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(CC(=O)O)s2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-14-7-5-10(6-8-14)15(2)21(18,19)13-4-3-11(20-13)9-12(16)17/h3-4,10H,5-9H2,1-2H3,(H,16,17)
InChIKeyUQJGUDBGOLWZAM-UHFFFAOYSA-N
XLogP1.09
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid (CID 29284864) is 2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid is CN1CCC(N(C)S(=O)(=O)c2ccc(CC(=O)O)s2)CC1.
What is the InChIKey of 2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is UQJGUDBGOLWZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-14-7-5-10(6-8-14)15(2)21(18,19)13-4-3-11(20-13)9-12(16)17/h3-4,10H,5-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 332.45 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 29284864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).