tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate

C20H33N3O4S — CID 100648914

IUPACtert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate
SMILESCCN(Cc1ccccc1)S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H33N3O4S/c1-6-23(16-17-10-8-7-9-11-17)28(25,26)21(5)18-12-14-22(15-13-18)19(24)27-20(2,3)4/h7-11,18H,6,12-16H2,1-5H3
InChIKeyHUVZAYCWYKHGIK-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.08
Rot. Bonds6

About tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate

tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate (PubChem CID 100648914) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate
PubChem CID100648914
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC Nametert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate
SMILESCCN(Cc1ccccc1)S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H33N3O4S/c1-6-23(16-17-10-8-7-9-11-17)28(25,26)21(5)18-12-14-22(15-13-18)19(24)27-20(2,3)4/h7-11,18H,6,12-16H2,1-5H3
InChIKeyHUVZAYCWYKHGIK-UHFFFAOYSA-N
XLogP3.08
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
CID 118798320
tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl (3R)-3-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidine-1-carboxylate
CID 16724784
tert-butyl 4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidine-1-carboxylate
CID 87570963
tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate
CID 126511699
tert-butyl 4-[(2,6-dichlorophenyl)methylsulfonyl-methylamino]piperidine-1-carboxylate
CID 71647204
2-[chloro-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 174543785
tert-butyl 4-[4-[acetyl(benzyl)amino]phenyl]piperidine-1-carboxylate
CID 22179851
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl (3S)-3-[methyl-[(2-methylphenyl)methyl]amino]pyrrolidine-1-carboxylate
CID 59891400
tert-butyl 3-[2-(dibenzylamino)ethoxy]pyrrolidine-1-carboxylate
CID 178134938

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate (CID 100648914) is tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate is CCN(Cc1ccccc1)S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate?
The InChIKey is HUVZAYCWYKHGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-6-23(16-17-10-8-7-9-11-17)28(25,26)21(5)18-12-14-22(15-13-18)19(24)27-20(2,3)4/h7-11,18H,6,12-16H2,1-5H3.
What are the key properties of tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate?
tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate has a molecular weight of 411.57 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[benzyl(ethyl)sulfamoyl]-methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 100648914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).