methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate

C13H19N3O4S — CID 43605594

IUPACmethyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)Nc2ccccc2N)CC1
InChIInChI=1S/C13H19N3O4S/c1-20-13(17)10-6-8-16(9-7-10)21(18,19)15-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9,14H2,1H3
InChIKeyHZKNBUHJBZAHFT-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.81
Rot. Bonds4

About methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate

methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate (PubChem CID 43605594) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate
PubChem CID43605594
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Namemethyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)Nc2ccccc2N)CC1
InChIInChI=1S/C13H19N3O4S/c1-20-13(17)10-6-8-16(9-7-10)21(18,19)15-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9,14H2,1H3
InChIKeyHZKNBUHJBZAHFT-UHFFFAOYSA-N
XLogP0.81
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(4-amino-3-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 82845277
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 7961507
1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61075380
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859379
methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate
CID 107596042
1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859391
methyl 1-(furan-3-carbonylsulfamoyl)piperidine-4-carboxylate
CID 51091345
methyl 1-[4-(difluoromethylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 34032036
2-[(4-methylpiperidin-1-yl)sulfonylamino]benzenecarbothioamide
CID 28509217
4-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-2-methylbutanoic acid
CID 80537972

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate (CID 43605594) is methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)Nc2ccccc2N)CC1.
What is the InChIKey of methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate?
The InChIKey is HZKNBUHJBZAHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-20-13(17)10-6-8-16(9-7-10)21(18,19)15-12-5-3-2-4-11(12)14/h2-5,10,15H,6-9,14H2,1H3.
What are the key properties of methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate?
methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 43605594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).