tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate

C11H22N2O4S — CID 155681430

IUPACtert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate
SMILESCN(CC1CN(C(=O)OC(C)(C)C)C1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)13-7-9(8-13)6-12(4)18(5,15)16/h9H,6-8H2,1-5H3
InChIKeyJPDSVUXSAAFFOD-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.74
Rot. Bonds3

About tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate

tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate (PubChem CID 155681430) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate
PubChem CID155681430
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Nametert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate
SMILESCN(CC1CN(C(=O)OC(C)(C)C)C1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)13-7-9(8-13)6-12(4)18(5,15)16/h9H,6-8H2,1-5H3
InChIKeyJPDSVUXSAAFFOD-UHFFFAOYSA-N
XLogP0.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[[butyl(methyl)sulfamoyl]methyl]azetidine-1-carboxylate
CID 126823140
tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 105488235
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl 3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647811
tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167683
tert-butyl 3-[methyl(2-methylsulfonyloxyethyl)amino]azetidine-1-carboxylate
CID 118295970
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate
CID 71258498
tert-butyl 3-(isocyanomethyl)azetidine-1-carboxylate
CID 83484764
tert-butyl 3-(methanesulfonamido)azetidine-1-carboxylate;tert-butyl 3-[methyl(methylsulfonyl)amino]azetidine-1-carboxylate
CID 158805489
tert-butyl (3R)-3-[[(5-bromothiophen-2-yl)sulfonyl-methylamino]methyl]piperidine-1-carboxylate
CID 97167385

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate (CID 155681430) is tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate is CN(CC1CN(C(=O)OC(C)(C)C)C1)S(C)(=O)=O.
What is the InChIKey of tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate?
The InChIKey is JPDSVUXSAAFFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)13-7-9(8-13)6-12(4)18(5,15)16/h9H,6-8H2,1-5H3.
What are the key properties of tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate?
tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate has a molecular weight of 278.37 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 155681430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).