2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate

C16H24N2O4S — CID 167519802

IUPAC2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-12(2)11-22-16(19)13-7-9-18(10-8-13)14-3-5-15(6-4-14)23(17,20)21/h3-6,12-13H,7-11H2,1-2H3,(H2,17,20,21)
InChIKeyVTMHTAMWKZHXKK-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.75
Rot. Bonds5

About 2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate

2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate (PubChem CID 167519802) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
PubChem CID167519802
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-12(2)11-22-16(19)13-7-9-18(10-8-13)14-3-5-15(6-4-14)23(17,20)21/h3-6,12-13H,7-11H2,1-2H3,(H2,17,20,21)
InChIKeyVTMHTAMWKZHXKK-UHFFFAOYSA-N
XLogP1.75
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate 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 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 62005683
2-methylpropyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557075
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide
CID 45156919
2-methylpropyl cyclopropanecarboxylate
CID 549520
bis[1-(4-ethylsulfonylphenyl)piperidin-4-yl]methanone
CID 174945351
4-[4-(azepan-1-ylmethyl)piperidin-1-yl]benzenesulfonamide
CID 146142611
4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide
CID 11393856
4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide
CID 146149057
2-methylpropyl N-(4-sulfamoylphenyl)carbamate
CID 18934427
ethyl 1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxylate
CID 1213439
4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171995786

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate?
The IUPAC name of 2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate (CID 167519802) is 2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate?
The canonical SMILES for 2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate is CC(C)COC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate?
The InChIKey is VTMHTAMWKZHXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)11-22-16(19)13-7-9-18(10-8-13)14-3-5-15(6-4-14)23(17,20)21/h3-6,12-13H,7-11H2,1-2H3,(H2,17,20,21).
What are the key properties of 2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate?
2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 167519802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).