methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride

C12H19ClN2O4S2 — CID 120585943

IUPACmethyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1sccc1S(=O)(=O)NC1CCNC(C)C1.Cl
InChIInChI=1S/C12H18N2O4S2.ClH/c1-8-7-9(3-5-13-8)14-20(16,17)10-4-6-19-11(10)12(15)18-2;/h4,6,8-9,13-14H,3,5,7H2,1-2H3;1H
InChIKeyUXASGIJJDAYLJP-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.38
Rot. Bonds4

About methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride

methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride (PubChem CID 120585943) has the molecular formula C12H19ClN2O4S2 and a molecular weight of 354.88 g/mol. Its IUPAC name is methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
PubChem CID120585943
Molecular FormulaC12H19ClN2O4S2
Molecular Weight354.88 g/mol
Exact Mass354.05
IUPAC Namemethyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1sccc1S(=O)(=O)NC1CCNC(C)C1.Cl
InChIInChI=1S/C12H18N2O4S2.ClH/c1-8-7-9(3-5-13-8)14-20(16,17)10-4-6-19-11(10)12(15)18-2;/h4,6,8-9,13-14H,3,5,7H2,1-2H3;1H
InChIKeyUXASGIJJDAYLJP-UHFFFAOYSA-N
XLogP1.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 18148661
3-methoxy-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120586094
methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 120586279
2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586052
methyl 3-[(3R)-3-methylpiperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 104975164
methyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate
CID 120875809
2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995674
2,5-dichloro-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide;hydrochloride
CID 120585748
2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide
CID 106995677
5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120586069
2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120585737
methyl 3-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylate
CID 114694295

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride (CID 120585943) is methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride is COC(=O)c1sccc1S(=O)(=O)NC1CCNC(C)C1.Cl.
What is the InChIKey of methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride?
The InChIKey is UXASGIJJDAYLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2.ClH/c1-8-7-9(3-5-13-8)14-20(16,17)10-4-6-19-11(10)12(15)18-2;/h4,6,8-9,13-14H,3,5,7H2,1-2H3;1H.
What are the key properties of methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride?
methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 120585943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).