tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate

C19H29ClN2O4S — CID 140745912

IUPACtert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate
SMILESCCC(NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H29ClN2O4S/c1-5-17(14-7-6-8-15(20)13-14)21-27(24,25)16-9-11-22(12-10-16)18(23)26-19(2,3)4/h6-8,13,16-17,21H,5,9-12H2,1-4H3
InChIKeyZBCKQGUXLBMGGX-UHFFFAOYSA-N
MW416.97 g/mol
LogP4.11
Rot. Bonds5

About tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate

tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate (PubChem CID 140745912) has the molecular formula C19H29ClN2O4S and a molecular weight of 416.97 g/mol. Its IUPAC name is tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate
PubChem CID140745912
Molecular FormulaC19H29ClN2O4S
Molecular Weight416.97 g/mol
Exact Mass416.15
IUPAC Nametert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate
SMILESCCC(NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H29ClN2O4S/c1-5-17(14-7-6-8-15(20)13-14)21-27(24,25)16-9-11-22(12-10-16)18(23)26-19(2,3)4/h6-8,13,16-17,21H,5,9-12H2,1-4H3
InChIKeyZBCKQGUXLBMGGX-UHFFFAOYSA-N
XLogP4.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.97
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-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

tert-butyl 4-[[1-(3-chlorophenyl)-2-(thian-4-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 69114074
tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate
CID 24613419
tert-butyl 4-[[(3-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 71630261
tert-butyl (3R)-3-[(3-chlorophenyl)-[2-(ethylamino)-2-oxoethoxy]methyl]piperidine-1-carboxylate
CID 59201433
tert-butyl 4-(3-chlorophenyl)piperazine-1-carboxylate;ethane
CID 178158418
tert-butyl 3-[(3-chlorophenyl)-iodomethyl]azetidine-1-carboxylate
CID 154662324
tert-butyl 4-[2-(3-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate
CID 68676536
tert-butyl (3R)-3-[(R)-(3-chlorophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 44555022
tert-butyl 3-[1-(3-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 143486993
tert-butyl 4-[(3-chlorophenyl)methylsulfanylamino]piperidine-1-carboxylate
CID 146340530
tert-butyl 4-[4-chloro-2-[2-(hydroxymethyl)butyl]phenyl]piperidine-1-carboxylate
CID 58222125
ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate
CID 95328331

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate (CID 140745912) is tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate is CCC(NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(Cl)c1.
What is the InChIKey of tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate?
The InChIKey is ZBCKQGUXLBMGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O4S/c1-5-17(14-7-6-8-15(20)13-14)21-27(24,25)16-9-11-22(12-10-16)18(23)26-19(2,3)4/h6-8,13,16-17,21H,5,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate?
tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate has a molecular weight of 416.97 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(3-chlorophenyl)propylsulfamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 140745912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).