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

C12H19ClN2O4S2 — CID 120875057

IUPACmethyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C12H18N2O4S2.ClH/c1-8-7-19-10(12(15)18-3)11(8)20(16,17)14(2)9-4-5-13-6-9;/h7,9,13H,4-6H2,1-3H3;1H
InChIKeyLSQYKBOTPCKYGN-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.25
Rot. Bonds4

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

methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride (PubChem CID 120875057) has the molecular formula C12H19ClN2O4S2 and a molecular weight of 354.88 g/mol. Its IUPAC name is methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
PubChem CID120875057
Molecular FormulaC12H19ClN2O4S2
Molecular Weight354.88 g/mol
Exact Mass354.05
IUPAC Namemethyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C12H18N2O4S2.ClH/c1-8-7-19-10(12(15)18-3)11(8)20(16,17)14(2)9-4-5-13-6-9;/h7,9,13H,4-6H2,1-3H3;1H
InChIKeyLSQYKBOTPCKYGN-UHFFFAOYSA-N
XLogP1.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102747971
methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 120874654
methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate
CID 120874655
methyl 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylate
CID 102748933
methyl 3-[2,2-difluoroethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749343
methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 114230128
methyl 3-[propyl(pyrrolidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate;hydrochloride
CID 119976720
methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 66185946
methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 119965724
methyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749118
methyl 3-[propyl(pyrrolidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 119976721
methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 102749197

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride (CID 120875057) is methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride is COC(=O)c1scc(C)c1S(=O)(=O)N(C)C1CCNC1.Cl.
What is the InChIKey of methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride?
The InChIKey is LSQYKBOTPCKYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2.ClH/c1-8-7-19-10(12(15)18-3)11(8)20(16,17)14(2)9-4-5-13-6-9;/h7,9,13H,4-6H2,1-3H3;1H.
What are the key properties of methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride?
methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 120875057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).