tert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate

C20H32ClN3O4S — CID 121410334

IUPACtert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(CCc2ccc(Cl)cc2)CCS(N)(=O)=O)CC1
InChIInChI=1S/C20H32ClN3O4S/c1-20(2,3)28-19(25)24-12-9-18(10-13-24)23(14-15-29(22,26)27)11-8-16-4-6-17(21)7-5-16/h4-7,18H,8-15H2,1-3H3,(H2,22,26,27)
InChIKeyCUMCJCOBFSARPO-UHFFFAOYSA-N
MW446.01 g/mol
LogP2.87
Rot. Bonds7

About tert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate

tert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate (PubChem CID 121410334) has the molecular formula C20H32ClN3O4S and a molecular weight of 446.01 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate
PubChem CID121410334
Molecular FormulaC20H32ClN3O4S
Molecular Weight446.01 g/mol
Exact Mass445.18
IUPAC Nametert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(CCc2ccc(Cl)cc2)CCS(N)(=O)=O)CC1
InChIInChI=1S/C20H32ClN3O4S/c1-20(2,3)28-19(25)24-12-9-18(10-13-24)23(14-15-29(22,26)27)11-8-16-4-6-17(21)7-5-16/h4-7,18H,8-15H2,1-3H3,(H2,22,26,27)
InChIKeyCUMCJCOBFSARPO-UHFFFAOYSA-N
XLogP2.87
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.01
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 4-[2-(4-chlorophenyl)ethyl-[(3-cyanophenyl)methyl]amino]piperidine-1-carboxylate
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tert-butyl 4-[N-[(4-chlorophenyl)methyl]-4-methylanilino]piperidine-1-carboxylate
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tert-butyl 4-[[[2-(4-chlorophenyl)acetyl]-methylamino]methyl]piperidine-1-carboxylate
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tert-butyl 4-[(2,5-dichlorophenyl)methylsulfonyl-methylamino]piperidine-1-carboxylate
CID 71647206
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate (CID 121410334) is tert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N(CCc2ccc(Cl)cc2)CCS(N)(=O)=O)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate?
The InChIKey is CUMCJCOBFSARPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN3O4S/c1-20(2,3)28-19(25)24-12-9-18(10-13-24)23(14-15-29(22,26)27)11-8-16-4-6-17(21)7-5-16/h4-7,18H,8-15H2,1-3H3,(H2,22,26,27).
What are the key properties of tert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate has a molecular weight of 446.01 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-chlorophenyl)ethyl-(2-sulfamoylethyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 121410334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).