tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate

C11H21NO4S — CID 175568283

IUPACtert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate
SMILESCC1C(CS(C)(=O)=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4S/c1-8-9(7-17(5,14)15)6-12(8)10(13)16-11(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyFGWMWMYVTVRFEH-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.29
Rot. Bonds2

About tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate

tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate (PubChem CID 175568283) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate
PubChem CID175568283
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Nametert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate
SMILESCC1C(CS(C)(=O)=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4S/c1-8-9(7-17(5,14)15)6-12(8)10(13)16-11(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyFGWMWMYVTVRFEH-UHFFFAOYSA-N
XLogP1.29
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate
CID 140904862
tert-butyl (2S)-3-amino-2-methylazetidine-1-carboxylate
CID 135397248
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070
tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
CID 99770590
(2S,3S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 169449252
ethane;2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 178026408
tert-butyl (2S,4R,5R)-5-ethyl-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 156802017
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl 3-acetyl-2-methylazetidine-1-carboxylate
CID 122590400
tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate
CID 178127390
tert-butyl (2R,3R)-3-(aminomethyl)-2-ethylazetidine-1-carboxylate
CID 163850757
tert-butyl (2R)-2-(methylsulfonylmethyl)piperazine-1-carboxylate
CID 164740203

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate (CID 175568283) is tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate is CC1C(CS(C)(=O)=O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate?
The InChIKey is FGWMWMYVTVRFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-8-9(7-17(5,14)15)6-12(8)10(13)16-11(2,3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate?
tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate has a molecular weight of 263.36 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-3-(methylsulfonylmethyl)azetidine-1-carboxylate is sourced from PubChem (CID 175568283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).