tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate

C14H29N3O4S — CID 103729666

IUPACtert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate
SMILESCCNS(=O)(=O)CCNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H29N3O4S/c1-5-16-22(19,20)11-8-15-12-6-9-17(10-7-12)13(18)21-14(2,3)4/h12,15-16H,5-11H2,1-4H3
InChIKeyOIRQAYQUIJMUGX-UHFFFAOYSA-N
MW335.47 g/mol
LogP0.91
Rot. Bonds6

About tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate

tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate (PubChem CID 103729666) has the molecular formula C14H29N3O4S and a molecular weight of 335.47 g/mol. Its IUPAC name is tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate
PubChem CID103729666
Molecular FormulaC14H29N3O4S
Molecular Weight335.47 g/mol
Exact Mass335.19
IUPAC Nametert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate
SMILESCCNS(=O)(=O)CCNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H29N3O4S/c1-5-16-22(19,20)11-8-15-12-6-9-17(10-7-12)13(18)21-14(2,3)4/h12,15-16H,5-11H2,1-4H3
InChIKeyOIRQAYQUIJMUGX-UHFFFAOYSA-N
XLogP0.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]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-[2-(dimethylsulfamoyl)ethylamino]azepane-1-carboxylate
CID 106336109
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43652168
tert-butyl 4-[(3-iodo-3-oxopropyl)amino]piperidine-1-carboxylate
CID 89193788
N-ethyl-2-[(4-methylcyclohexyl)amino]ethanesulfonamide
CID 115653668
tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
CID 61044256
tert-butyl 4-(prop-2-ynylamino)piperidine-1-carboxylate
CID 43652133
tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate
CID 107243480
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]propanoic acid
CID 103980886
tert-butyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate
CID 103952748
tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate
CID 107267903
tert-butyl 4-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate;hydrochloride
CID 56965527
tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
CID 103618127

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate (CID 103729666) is tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate is CCNS(=O)(=O)CCNC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate?
The InChIKey is OIRQAYQUIJMUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4S/c1-5-16-22(19,20)11-8-15-12-6-9-17(10-7-12)13(18)21-14(2,3)4/h12,15-16H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate?
tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate has a molecular weight of 335.47 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 103729666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).