tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate

C14H27NO5S — CID 83207465

IUPACtert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C)(OCCS(C)(=O)=O)C1
InChIInChI=1S/C14H27NO5S/c1-13(2,3)20-12(16)15-8-6-7-14(4,11-15)19-9-10-21(5,17)18/h6-11H2,1-5H3
InChIKeyNDRUWAXHYDDBBY-UHFFFAOYSA-N
MW321.44 g/mol
LogP1.84
Rot. Bonds4

About tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate

tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate (PubChem CID 83207465) has the molecular formula C14H27NO5S and a molecular weight of 321.44 g/mol. Its IUPAC name is tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate
PubChem CID83207465
Molecular FormulaC14H27NO5S
Molecular Weight321.44 g/mol
Exact Mass321.16
IUPAC Nametert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C)(OCCS(C)(=O)=O)C1
InChIInChI=1S/C14H27NO5S/c1-13(2,3)20-12(16)15-8-6-7-14(4,11-15)19-9-10-21(5,17)18/h6-11H2,1-5H3
InChIKeyNDRUWAXHYDDBBY-UHFFFAOYSA-N
XLogP1.84
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate
CID 83207371
tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate
CID 83206251
tert-butyl 3-(3-hydroxybutoxy)-3-methylpyrrolidine-1-carboxylate
CID 106938832
tert-butyl 3-(2-butoxyethoxy)-3-methylpyrrolidine-1-carboxylate
CID 83207232
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl 3-decoxy-3-methylpyrrolidine-1-carboxylate
CID 113351248
tert-butyl 3-methyl-3-(2-phenoxyethoxy)pyrrolidine-1-carboxylate
CID 103916198
tert-butyl 3-methyl-3-prop-2-ynoxypyrrolidine-1-carboxylate
CID 83206134
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 129395641
tert-butyl 3-(iodomethyl)-3-(2-methoxyethoxy)piperidine-1-carboxylate
CID 114773147
tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 103916206

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate (CID 83207465) is tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C)(OCCS(C)(=O)=O)C1.
What is the InChIKey of tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate?
The InChIKey is NDRUWAXHYDDBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5S/c1-13(2,3)20-12(16)15-8-6-7-14(4,11-15)19-9-10-21(5,17)18/h6-11H2,1-5H3.
What are the key properties of tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate?
tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate has a molecular weight of 321.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 83207465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).