methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride

C17H27ClN2O6S — CID 120896824

IUPACmethyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(OCC(=O)OC)cc2)CCNCC1.Cl
InChIInChI=1S/C17H26N2O6S.ClH/c1-23-13-17(7-9-18-10-8-17)12-19-26(21,22)15-5-3-14(4-6-15)25-11-16(20)24-2;/h3-6,18-19H,7-13H2,1-2H3;1H
InChIKeyICIYWXFZEMFXOJ-UHFFFAOYSA-N
MW422.93 g/mol
LogP0.95
Rot. Bonds9

About methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride

methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride (PubChem CID 120896824) has the molecular formula C17H27ClN2O6S and a molecular weight of 422.93 g/mol. Its IUPAC name is methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride
PubChem CID120896824
Molecular FormulaC17H27ClN2O6S
Molecular Weight422.93 g/mol
Exact Mass422.13
IUPAC Namemethyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(OCC(=O)OC)cc2)CCNCC1.Cl
InChIInChI=1S/C17H26N2O6S.ClH/c1-23-13-17(7-9-18-10-8-17)12-19-26(21,22)15-5-3-14(4-6-15)25-11-16(20)24-2;/h3-6,18-19H,7-13H2,1-2H3;1H
InChIKeyICIYWXFZEMFXOJ-UHFFFAOYSA-N
XLogP0.95
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896478
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]-N-methylacetamide;hydrochloride
CID 120896852
methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride
CID 120896266
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896352
N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide
CID 120896043
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
2-(4-hydroxyphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120890491
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide
CID 120896353
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride?
The IUPAC name of methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride (CID 120896824) is methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride?
The canonical SMILES for methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride is COCC1(CNS(=O)(=O)c2ccc(OCC(=O)OC)cc2)CCNCC1.Cl.
What is the InChIKey of methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride?
The InChIKey is ICIYWXFZEMFXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S.ClH/c1-23-13-17(7-9-18-10-8-17)12-19-26(21,22)15-5-3-14(4-6-15)25-11-16(20)24-2;/h3-6,18-19H,7-13H2,1-2H3;1H.
What are the key properties of methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride?
methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride has a molecular weight of 422.93 g/mol, XLogP of 0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride is sourced from PubChem (CID 120896824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).