methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride

C13H21ClN2O5S2 — CID 119980139

IUPACmethyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1.Cl
InChIInChI=1S/C13H20N2O5S2.ClH/c1-14-9-4-6-15(7-5-9)22(17,18)13-10(19-2)8-11(21-13)12(16)20-3;/h8-9,14H,4-7H2,1-3H3;1H
InChIKeyPGCVYOCRFRHDEG-UHFFFAOYSA-N
MW384.91 g/mol
LogP1.34
Rot. Bonds5

About methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride

methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride (PubChem CID 119980139) has the molecular formula C13H21ClN2O5S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
PubChem CID119980139
Molecular FormulaC13H21ClN2O5S2
Molecular Weight384.91 g/mol
Exact Mass384.06
IUPAC Namemethyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1.Cl
InChIInChI=1S/C13H20N2O5S2.ClH/c1-14-9-4-6-15(7-5-9)22(17,18)13-10(19-2)8-11(21-13)12(16)20-3;/h8-9,14H,4-7H2,1-3H3;1H
InChIKeyPGCVYOCRFRHDEG-UHFFFAOYSA-N
XLogP1.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride
CID 119959228
methyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 119978369
methyl 5-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-4-methoxythiophene-2-carboxylate
CID 119992720
methyl 4-methoxy-5-(2-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylate;hydrochloride
CID 119969979
methyl 5-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-4-methoxythiophene-2-carboxylate;hydrochloride
CID 120719174
methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate
CID 120710099
1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine
CID 119980148
dimethyl 5-[4-(methylamino)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate
CID 119980073
dimethyl 2-[4-(methylamino)piperidin-1-yl]sulfonylbenzene-1,4-dicarboxylate;hydrochloride
CID 119979827
1-(5-bromo-2-methoxyphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979931
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride (CID 119980139) is methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride is CNC1CCN(S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1.Cl.
What is the InChIKey of methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride?
The InChIKey is PGCVYOCRFRHDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S2.ClH/c1-14-9-4-6-15(7-5-9)22(17,18)13-10(19-2)8-11(21-13)12(16)20-3;/h8-9,14H,4-7H2,1-3H3;1H.
What are the key properties of methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride?
methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 119980139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).