1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid

C16H22N2O5S — CID 122114271

IUPAC1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)CCC2C)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C16H22N2O5S/c1-9-6-13(7-14(11(9)3)24(17,22)23)15(19)18-8-12(16(20)21)5-4-10(18)2/h6-7,10,12H,4-5,8H2,1-3H3,(H,20,21)(H2,17,22,23)
InChIKeyLBTNGHGMVRLDIS-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.28
Rot. Bonds3

About 1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid

1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122114271) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122114271
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)CCC2C)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C16H22N2O5S/c1-9-6-13(7-14(11(9)3)24(17,22)23)15(19)18-8-12(16(20)21)5-4-10(18)2/h6-7,10,12H,4-5,8H2,1-3H3,(H,20,21)(H2,17,22,23)
InChIKeyLBTNGHGMVRLDIS-UHFFFAOYSA-N
XLogP1.28
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119469135
5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide
CID 86977784
2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119412777
2-(3,4-dimethyl-5-sulfamoylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196126
1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113561
1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 115770176
4-(3,4-dimethyl-5-sulfamoylbenzoyl)morpholine-2-carboxylic acid
CID 119239894
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119486602
6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122112680

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid (CID 122114271) is 1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid is Cc1cc(C(=O)N2CC(C(=O)O)CCC2C)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is LBTNGHGMVRLDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-9-6-13(7-14(11(9)3)24(17,22)23)15(19)18-8-12(16(20)21)5-4-10(18)2/h6-7,10,12H,4-5,8H2,1-3H3,(H,20,21)(H2,17,22,23).
What are the key properties of 1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid?
1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 354.43 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122114271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).