tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate

C8H17N3O4S — CID 153328230

IUPACtert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(S(=O)(=O)NN)C1
InChIInChI=1S/C8H17N3O4S/c1-8(2,3)15-7(12)11-4-6(5-11)16(13,14)10-9/h6,10H,4-5,9H2,1-3H3
InChIKeyCETBFPKYODODND-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.60
Rot. Bonds2

About tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate

tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate (PubChem CID 153328230) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate
PubChem CID153328230
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Nametert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(S(=O)(=O)NN)C1
InChIInChI=1S/C8H17N3O4S/c1-8(2,3)15-7(12)11-4-6(5-11)16(13,14)10-9/h6,10H,4-5,9H2,1-3H3
InChIKeyCETBFPKYODODND-UHFFFAOYSA-N
XLogP-0.60
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-sulfamoylpiperidine-1-carboxylate
CID 122702227
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate
CID 166071281
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 (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-[ethenyl(methyl)sulfamoyl]azetidine-1-carboxylate
CID 146388757
tert-butyl 3-fluoroazetidine-1-carboxylate
CID 58394681
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
tert-butyl (1S,5S)-6-(methylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 98125344
1-O-tert-butyl 3-O,4-O-diethyl (3S)-pyrrolidine-1,3,4-tricarboxylate
CID 91654881
tert-butyl (3S)-3-(methylsulfonimidoyl)pyrrolidine-1-carboxylate
CID 125499804
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate (CID 153328230) is tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(S(=O)(=O)NN)C1.
What is the InChIKey of tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate?
The InChIKey is CETBFPKYODODND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-8(2,3)15-7(12)11-4-6(5-11)16(13,14)10-9/h6,10H,4-5,9H2,1-3H3.
What are the key properties of tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate?
tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate has a molecular weight of 251.31 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate is sourced from PubChem (CID 153328230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).