methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate

C15H21N3O5S — CID 47072778

IUPACmethyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2C)CC1
InChIInChI=1S/C15H21N3O5S/c1-10-3-4-12(24(16,21)22)9-13(10)14(19)17-11-5-7-18(8-6-11)15(20)23-2/h3-4,9,11H,5-8H2,1-2H3,(H,17,19)(H2,16,21,22)
InChIKeyHEPFFESGNYGLPL-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.60
Rot. Bonds3

About methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate

methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate (PubChem CID 47072778) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate
PubChem CID47072778
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Namemethyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2C)CC1
InChIInChI=1S/C15H21N3O5S/c1-10-3-4-12(24(16,21)22)9-13(10)14(19)17-11-5-7-18(8-6-11)15(20)23-2/h3-4,9,11H,5-8H2,1-2H3,(H,17,19)(H2,16,21,22)
InChIKeyHEPFFESGNYGLPL-UHFFFAOYSA-N
XLogP0.60
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]piperidine-1-carboxylate
CID 46798952
N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide
CID 56884915
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate
CID 86841438
4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
CID 43790791
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320965
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
CID 110761607
2-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 32542953
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
N-cyclopropyl-2-fluoro-3-methyl-5-sulfamoylbenzamide
CID 81479218

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate (CID 47072778) is methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2C)CC1.
What is the InChIKey of methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is HEPFFESGNYGLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-10-3-4-12(24(16,21)22)9-13(10)14(19)17-11-5-7-18(8-6-11)15(20)23-2/h3-4,9,11H,5-8H2,1-2H3,(H,17,19)(H2,16,21,22).
What are the key properties of methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate?
methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 355.42 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 47072778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).