methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate

C15H22N2O5S — CID 120710099

IUPACmethyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate
SMILESCNC1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(OC)c2)CC1
InChIInChI=1S/C15H22N2O5S/c1-16-11-6-8-17(9-7-11)23(19,20)12-4-5-13(15(18)22-3)14(10-12)21-2/h4-5,10-11,16H,6-9H2,1-3H3
InChIKeyRWURGTGMKZFUSX-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.85
Rot. Bonds5

About methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate

methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate (PubChem CID 120710099) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate
PubChem CID120710099
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Namemethyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate
SMILESCNC1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(OC)c2)CC1
InChIInChI=1S/C15H22N2O5S/c1-16-11-6-8-17(9-7-11)23(19,20)12-4-5-13(15(18)22-3)14(10-12)21-2/h4-5,10-11,16H,6-9H2,1-3H3
InChIKeyRWURGTGMKZFUSX-UHFFFAOYSA-N
XLogP0.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 120681723
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
methyl 2-methoxy-4-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 120712112
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458559
methyl 4-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 119980139
2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119980179
methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate
CID 68873927
3-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-methylbutanamide
CID 120501272
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate?
The IUPAC name of methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate (CID 120710099) is methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate.
What is the SMILES notation for methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate?
The canonical SMILES for methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate is CNC1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(OC)c2)CC1.
What is the InChIKey of methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate?
The InChIKey is RWURGTGMKZFUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-16-11-6-8-17(9-7-11)23(19,20)12-4-5-13(15(18)22-3)14(10-12)21-2/h4-5,10-11,16H,6-9H2,1-3H3.
What are the key properties of methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate?
methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate has a molecular weight of 342.42 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate is sourced from PubChem (CID 120710099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).