methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride

C12H19ClN2O5S2 — CID 119974355

IUPACmethyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(S(=O)(=O)NCC2CCCN2)s1.Cl
InChIInChI=1S/C12H18N2O5S2.ClH/c1-18-9-6-10(11(15)19-2)20-12(9)21(16,17)14-7-8-4-3-5-13-8;/h6,8,13-14H,3-5,7H2,1-2H3;1H
InChIKeyMXNLSPUAVKFLBA-UHFFFAOYSA-N
MW370.88 g/mol
LogP1.00
Rot. Bonds6

About methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride

methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride (PubChem CID 119974355) has the molecular formula C12H19ClN2O5S2 and a molecular weight of 370.88 g/mol. Its IUPAC name is methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride
PubChem CID119974355
Molecular FormulaC12H19ClN2O5S2
Molecular Weight370.88 g/mol
Exact Mass370.04
IUPAC Namemethyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(S(=O)(=O)NCC2CCCN2)s1.Cl
InChIInChI=1S/C12H18N2O5S2.ClH/c1-18-9-6-10(11(15)19-2)20-12(9)21(16,17)14-7-8-4-3-5-13-8;/h6,8,13-14H,3-5,7H2,1-2H3;1H
InChIKeyMXNLSPUAVKFLBA-UHFFFAOYSA-N
XLogP1.00
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
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-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62541476
2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119974021
methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)-1-benzothiophene-2-carboxylate;hydrochloride
CID 119974413
2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084395
methyl 2-methyl-4-(pyrrolidin-2-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119974554
methyl 5-[(2-amino-1-cyclopentylethyl)sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 120585239
methyl 3-bromo-4-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 119974135
methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)-1-benzothiophene-2-carboxylate
CID 119974414
methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62540597
4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974453
methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 119980905
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119974225

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride (CID 119974355) is methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride is COC(=O)c1cc(OC)c(S(=O)(=O)NCC2CCCN2)s1.Cl.
What is the InChIKey of methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride?
The InChIKey is MXNLSPUAVKFLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2.ClH/c1-18-9-6-10(11(15)19-2)20-12(9)21(16,17)14-7-8-4-3-5-13-8;/h6,8,13-14H,3-5,7H2,1-2H3;1H.
What are the key properties of methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride?
methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 119974355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).