tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate

C14H29N3O4S — CID 106334856

IUPACtert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate
SMILESCN(C)S(=O)(=O)CCNC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H29N3O4S/c1-14(2,3)21-13(18)17-9-6-7-12(11-17)15-8-10-22(19,20)16(4)5/h12,15H,6-11H2,1-5H3
InChIKeyAMJIPPBWFSTZPO-UHFFFAOYSA-N
MW335.47 g/mol
LogP0.87
Rot. Bonds5

About tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate

tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate (PubChem CID 106334856) has the molecular formula C14H29N3O4S and a molecular weight of 335.47 g/mol. Its IUPAC name is tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate
PubChem CID106334856
Molecular FormulaC14H29N3O4S
Molecular Weight335.47 g/mol
Exact Mass335.19
IUPAC Nametert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate
SMILESCN(C)S(=O)(=O)CCNC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H29N3O4S/c1-14(2,3)21-13(18)17-9-6-7-12(11-17)15-8-10-22(19,20)16(4)5/h12,15H,6-11H2,1-5H3
InChIKeyAMJIPPBWFSTZPO-UHFFFAOYSA-N
XLogP0.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-(dimethylsulfamoyl)ethylamino]azepane-1-carboxylate
CID 106336109
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl 3-(4-hydroxybutylamino)piperidine-1-carboxylate
CID 106840867
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-(2-carbamoyloxyethylamino)piperidine-1-carboxylate
CID 83211355
tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate
CID 103949538
tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate
CID 172535316
tert-butyl (3S)-3-(dimethylsulfamoylamino)azepane-1-carboxylate
CID 97071902
tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
CID 75994051
tert-butyl (3R)-3-(pentylamino)azepane-1-carboxylate
CID 164579167
tert-butyl 3-[(3-methoxy-3-methylbutyl)amino]azepane-1-carboxylate
CID 107249434

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate (CID 106334856) is tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate is CN(C)S(=O)(=O)CCNC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate?
The InChIKey is AMJIPPBWFSTZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4S/c1-14(2,3)21-13(18)17-9-6-7-12(11-17)15-8-10-22(19,20)16(4)5/h12,15H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate?
tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate has a molecular weight of 335.47 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 106334856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).