methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate

C15H22N2O4S — CID 120724964

IUPACmethyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccccc1CS(=O)(=O)NC1CCNCC1C
InChIInChI=1S/C15H22N2O4S/c1-11-9-16-8-7-14(11)17-22(19,20)10-12-5-3-4-6-13(12)15(18)21-2/h3-6,11,14,16-17H,7-10H2,1-2H3
InChIKeyYWCKXMHIKWLEQN-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.89
Rot. Bonds5

About methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate

methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate (PubChem CID 120724964) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate
PubChem CID120724964
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Namemethyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccccc1CS(=O)(=O)NC1CCNCC1C
InChIInChI=1S/C15H22N2O4S/c1-11-9-16-8-7-14(11)17-22(19,20)10-12-5-3-4-6-13(12)15(18)21-2/h3-6,11,14,16-17H,7-10H2,1-2H3
InChIKeyYWCKXMHIKWLEQN-UHFFFAOYSA-N
XLogP0.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate 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

methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724941
methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate
CID 119985769
methyl 2-(azetidine-3-carbonylsulfamoylmethyl)benzoate
CID 141166082
methyl 2-[(4-aminocyclohexyl)sulfamoylmethyl]benzoate
CID 119970801
methyl 2-chloro-4-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 120724810
methyl 2-(aziridin-2-ylmethylsulfonylmethyl)benzoate
CID 87984912
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
methyl 2-(piperazin-1-ylsulfonylmethyl)benzoate
CID 119961744
methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724853
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
methyl 2-[(Z)-2-(3-methylpiperidin-4-yl)ethenyl]benzoate
CID 142954036

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate?
The IUPAC name of methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate (CID 120724964) is methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate.
What is the SMILES notation for methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate?
The canonical SMILES for methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate is COC(=O)c1ccccc1CS(=O)(=O)NC1CCNCC1C.
What is the InChIKey of methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate?
The InChIKey is YWCKXMHIKWLEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-9-16-8-7-14(11)17-22(19,20)10-12-5-3-4-6-13(12)15(18)21-2/h3-6,11,14,16-17H,7-10H2,1-2H3.
What are the key properties of methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate?
methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate has a molecular weight of 326.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate is sourced from PubChem (CID 120724964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).