methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride

C15H25ClN2O4S2 — CID 42926829

IUPACmethyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(C)(C)N1CCCCC1.Cl
InChIInChI=1S/C15H24N2O4S2.ClH/c1-15(2,17-8-5-4-6-9-17)11-16-23(19,20)12-7-10-22-13(12)14(18)21-3;/h7,10,16H,4-6,8-9,11H2,1-3H3;1H
InChIKeyVOPLASUTUUDFBR-UHFFFAOYSA-N
MW396.96 g/mol
LogP2.50
Rot. Bonds6

About methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride

methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride (PubChem CID 42926829) has the molecular formula C15H25ClN2O4S2 and a molecular weight of 396.96 g/mol. Its IUPAC name is methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
PubChem CID42926829
Molecular FormulaC15H25ClN2O4S2
Molecular Weight396.96 g/mol
Exact Mass396.09
IUPAC Namemethyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(C)(C)N1CCCCC1.Cl
InChIInChI=1S/C15H24N2O4S2.ClH/c1-15(2,17-8-5-4-6-9-17)11-16-23(19,20)12-7-10-22-13(12)14(18)21-3;/h7,10,16H,4-6,8-9,11H2,1-3H3;1H
InChIKeyVOPLASUTUUDFBR-UHFFFAOYSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.96
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride (CID 42926829) is methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride is COC(=O)c1sccc1S(=O)(=O)NCC(C)(C)N1CCCCC1.Cl.
What is the InChIKey of methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride?
The InChIKey is VOPLASUTUUDFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2.ClH/c1-15(2,17-8-5-4-6-9-17)11-16-23(19,20)12-7-10-22-13(12)14(18)21-3;/h7,10,16H,4-6,8-9,11H2,1-3H3;1H.
What are the key properties of methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride?
methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride has a molecular weight of 396.96 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 42926829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).