methyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate

C14H22N2O5S2 — CID 119978369

IUPACmethyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCNCC1CCN(S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1
InChIInChI=1S/C14H22N2O5S2/c1-15-9-10-4-6-16(7-5-10)23(18,19)14-11(20-2)8-12(22-14)13(17)21-3/h8,10,15H,4-7,9H2,1-3H3
InChIKeyVTORRNRIGLLAKE-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.16
Rot. Bonds6

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

methyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate (PubChem CID 119978369) has the molecular formula C14H22N2O5S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate
PubChem CID119978369
Molecular FormulaC14H22N2O5S2
Molecular Weight362.47 g/mol
Exact Mass362.10
IUPAC Namemethyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCNCC1CCN(S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1
InChIInChI=1S/C14H22N2O5S2/c1-15-9-10-4-6-16(7-5-10)23(18,19)14-11(20-2)8-12(22-14)13(17)21-3/h8,10,15H,4-7,9H2,1-3H3
InChIKeyVTORRNRIGLLAKE-UHFFFAOYSA-N
XLogP1.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.16
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-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 119980139
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-methyl-3-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119978272
1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248513
3-methoxy-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 120875015
methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 119974355
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 103100405
1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978472
methyl 5-[(2-amino-1-cyclopentylethyl)sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 120585239

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate (CID 119978369) is methyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate is CNCC1CCN(S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1.
What is the InChIKey of methyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate?
The InChIKey is VTORRNRIGLLAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S2/c1-15-9-10-4-6-16(7-5-10)23(18,19)14-11(20-2)8-12(22-14)13(17)21-3/h8,10,15H,4-7,9H2,1-3H3.
What are the key properties of methyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate?
methyl 4-methoxy-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 1.16, 6 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-(methylaminomethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate is sourced from PubChem (CID 119978369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).