tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate

C11H20N2O4S — CID 146388757

IUPACtert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate
SMILESC=CN(C)S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O4S/c1-6-12(5)18(15,16)9-7-13(8-9)10(14)17-11(2,3)4/h6,9H,1,7-8H2,2-5H3
InChIKeyTVRPUWCDABKVJR-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.01
Rot. Bonds3

About tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate

tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate (PubChem CID 146388757) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate
PubChem CID146388757
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Nametert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate
SMILESC=CN(C)S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O4S/c1-6-12(5)18(15,16)9-7-13(8-9)10(14)17-11(2,3)4/h6,9H,1,7-8H2,2-5H3
InChIKeyTVRPUWCDABKVJR-UHFFFAOYSA-N
XLogP1.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate
CID 153328230
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 19955570
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 8-ethenyl-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 130340834
tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate
CID 155681430
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl 3-[methyl(2-methylsulfonyloxyethyl)amino]azetidine-1-carboxylate
CID 118295970
tert-butyl 3-fluoroazetidine-1-carboxylate
CID 58394681
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
tert-butyl (1R,5R)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 125129236

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate (CID 146388757) is tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate is C=CN(C)S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate?
The InChIKey is TVRPUWCDABKVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-6-12(5)18(15,16)9-7-13(8-9)10(14)17-11(2,3)4/h6,9H,1,7-8H2,2-5H3.
What are the key properties of tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate?
tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate is sourced from PubChem (CID 146388757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).