methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride

C12H19ClN2O5S2 — CID 119960673

IUPACmethyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(S(=O)(=O)NC2CCNCC2)s1.Cl
InChIInChI=1S/C12H18N2O5S2.ClH/c1-18-9-7-10(11(15)19-2)20-12(9)21(16,17)14-8-3-5-13-6-4-8;/h7-8,13-14H,3-6H2,1-2H3;1H
InChIKeyUSFFWGDWYFEPMR-UHFFFAOYSA-N
MW370.88 g/mol
LogP1.00
Rot. Bonds5

About methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride

methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride (PubChem CID 119960673) has the molecular formula C12H19ClN2O5S2 and a molecular weight of 370.88 g/mol. Its IUPAC name is methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride
PubChem CID119960673
Molecular FormulaC12H19ClN2O5S2
Molecular Weight370.88 g/mol
Exact Mass370.04
IUPAC Namemethyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(S(=O)(=O)NC2CCNCC2)s1.Cl
InChIInChI=1S/C12H18N2O5S2.ClH/c1-18-9-7-10(11(15)19-2)20-12(9)21(16,17)14-8-3-5-13-6-4-8;/h7-8,13-14H,3-6H2,1-2H3;1H
InChIKeyUSFFWGDWYFEPMR-UHFFFAOYSA-N
XLogP1.00
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate
CID 69034720
methyl 5-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-4-methoxythiophene-2-carboxylate;hydrochloride
CID 120719174
methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 119974355
methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
CID 120706280
methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 119980139
methyl 4-methoxy-5-(2-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylate;hydrochloride
CID 119969979
methyl 5-[(2-amino-1-cyclopentylethyl)sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 120585239
methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride
CID 119959228
2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 43603348
methyl 4-chloro-2-(piperidin-4-ylsulfamoyl)benzoate
CID 119960838
2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid
CID 61403148
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride (CID 119960673) is methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride is COC(=O)c1cc(OC)c(S(=O)(=O)NC2CCNCC2)s1.Cl.
What is the InChIKey of methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride?
The InChIKey is USFFWGDWYFEPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2.ClH/c1-18-9-7-10(11(15)19-2)20-12(9)21(16,17)14-8-3-5-13-6-4-8;/h7-8,13-14H,3-6H2,1-2H3;1H.
What are the key properties of methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride?
methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 119960673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).