methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride

C12H19ClN2O5S2 — CID 119959228

IUPACmethyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(S(=O)(=O)N2CCC(N)CC2)s1.Cl
InChIInChI=1S/C12H18N2O5S2.ClH/c1-18-9-7-10(11(15)19-2)20-12(9)21(16,17)14-5-3-8(13)4-6-14;/h7-8H,3-6,13H2,1-2H3;1H
InChIKeyZEVRPJXDOHIKTG-UHFFFAOYSA-N
MW370.88 g/mol
LogP1.08
Rot. Bonds4

About methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride

methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride (PubChem CID 119959228) has the molecular formula C12H19ClN2O5S2 and a molecular weight of 370.88 g/mol. Its IUPAC name is methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride
PubChem CID119959228
Molecular FormulaC12H19ClN2O5S2
Molecular Weight370.88 g/mol
Exact Mass370.04
IUPAC Namemethyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(S(=O)(=O)N2CCC(N)CC2)s1.Cl
InChIInChI=1S/C12H18N2O5S2.ClH/c1-18-9-7-10(11(15)19-2)20-12(9)21(16,17)14-5-3-8(13)4-6-14;/h7-8H,3-6,13H2,1-2H3;1H
InChIKeyZEVRPJXDOHIKTG-UHFFFAOYSA-N
XLogP1.08
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 119980139
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 4-(4-aminopiperidin-1-yl)sulfonyl-3-bromobenzoate;hydrochloride
CID 119959036
1-(5-bromo-2,4-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959404
methyl 4-(4-aminopiperidin-1-yl)sulfonyl-3-chlorobenzoate
CID 119959200
methyl 5-[(2-amino-1-cyclopentylethyl)sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 120585239
methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 119974355
methyl 5-(4-aminopiperidin-1-yl)sulfonyl-2-methylfuran-3-carboxylate
CID 119959348
1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959410

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride (CID 119959228) is methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride is COC(=O)c1cc(OC)c(S(=O)(=O)N2CCC(N)CC2)s1.Cl.
What is the InChIKey of methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride?
The InChIKey is ZEVRPJXDOHIKTG-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)14-5-3-8(13)4-6-14;/h7-8H,3-6,13H2,1-2H3;1H.
What are the key properties of methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride?
methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-aminopiperidin-1-yl)sulfonyl-4-methoxythiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 119959228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).