tert-butyl 2-methylsulfonylpiperidine-1-carboxylate

C11H21NO4S — CID 69044724

IUPACtert-butyl 2-methylsulfonylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-11(2,3)16-10(13)12-8-6-5-7-9(12)17(4,14)15/h9H,5-8H2,1-4H3
InChIKeyKGJOGYMEVGCVTF-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.78
Rot. Bonds1

About tert-butyl 2-methylsulfonylpiperidine-1-carboxylate

tert-butyl 2-methylsulfonylpiperidine-1-carboxylate (PubChem CID 69044724) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is tert-butyl 2-methylsulfonylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methylsulfonylpiperidine-1-carboxylate
PubChem CID69044724
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Nametert-butyl 2-methylsulfonylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-11(2,3)16-10(13)12-8-6-5-7-9(12)17(4,14)15/h9H,5-8H2,1-4H3
InChIKeyKGJOGYMEVGCVTF-UHFFFAOYSA-N
XLogP1.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl (2S)-2-butanoylpiperidine-1-carboxylate
CID 165464367
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10704682
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
tert-butyl 2-methoxypiperidine-1-carboxylate
CID 11424460
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl (2S)-2-(2-chloroacetyl)piperidine-1-carboxylate
CID 91971112
tert-butyl (2R)-2-trimethylsilylpiperidine-1-carboxylate
CID 11594083
tert-butyl (2R)-2-cyanopiperidine-1-carboxylate
CID 7019482

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methylsulfonylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methylsulfonylpiperidine-1-carboxylate (CID 69044724) is tert-butyl 2-methylsulfonylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methylsulfonylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methylsulfonylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1S(C)(=O)=O.
What is the InChIKey of tert-butyl 2-methylsulfonylpiperidine-1-carboxylate?
The InChIKey is KGJOGYMEVGCVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-11(2,3)16-10(13)12-8-6-5-7-9(12)17(4,14)15/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-methylsulfonylpiperidine-1-carboxylate?
tert-butyl 2-methylsulfonylpiperidine-1-carboxylate has a molecular weight of 263.36 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methylsulfonylpiperidine-1-carboxylate is sourced from PubChem (CID 69044724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).