5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid

C13H20N2O4S2 — CID 63236674

IUPAC5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCN1CCC(CN(C)S(=O)(=O)c2cc(C(=O)O)cs2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-14-5-3-10(4-6-14)8-15(2)21(18,19)12-7-11(9-20-12)13(16)17/h7,9-10H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyFGVVUDYCRMTCIC-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.41
Rot. Bonds5

About 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid

5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 63236674) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
PubChem CID63236674
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESCN1CCC(CN(C)S(=O)(=O)c2cc(C(=O)O)cs2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-14-5-3-10(4-6-14)8-15(2)21(18,19)12-7-11(9-20-12)13(16)17/h7,9-10H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyFGVVUDYCRMTCIC-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid (CID 63236674) is 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid is CN1CCC(CN(C)S(=O)(=O)c2cc(C(=O)O)cs2)CC1.
What is the InChIKey of 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is FGVVUDYCRMTCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-14-5-3-10(4-6-14)8-15(2)21(18,19)12-7-11(9-20-12)13(16)17/h7,9-10H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid?
5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 332.45 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 63236674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).