3-tert-butyl-1-ethylsulfonylazetidine

C9H19NO2S — CID 146624586

IUPAC3-tert-butyl-1-ethylsulfonylazetidine
SMILESCCS(=O)(=O)N1CC(C(C)(C)C)C1
InChIInChI=1S/C9H19NO2S/c1-5-13(11,12)10-6-8(7-10)9(2,3)4/h8H,5-7H2,1-4H3
InChIKeyVZCRTJIWOGFNEX-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.31
Rot. Bonds2

About 3-tert-butyl-1-ethylsulfonylazetidine

3-tert-butyl-1-ethylsulfonylazetidine (PubChem CID 146624586) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-tert-butyl-1-ethylsulfonylazetidine.

Molecular Properties

Compound Name3-tert-butyl-1-ethylsulfonylazetidine
PubChem CID146624586
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-tert-butyl-1-ethylsulfonylazetidine
SMILESCCS(=O)(=O)N1CC(C(C)(C)C)C1
InChIInChI=1S/C9H19NO2S/c1-5-13(11,12)10-6-8(7-10)9(2,3)4/h8H,5-7H2,1-4H3
InChIKeyVZCRTJIWOGFNEX-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethylsulfonylazetidine?
The IUPAC name of 3-tert-butyl-1-ethylsulfonylazetidine (CID 146624586) is 3-tert-butyl-1-ethylsulfonylazetidine.
What is the SMILES notation for 3-tert-butyl-1-ethylsulfonylazetidine?
The canonical SMILES for 3-tert-butyl-1-ethylsulfonylazetidine is CCS(=O)(=O)N1CC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-ethylsulfonylazetidine?
The InChIKey is VZCRTJIWOGFNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-13(11,12)10-6-8(7-10)9(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-1-ethylsulfonylazetidine?
3-tert-butyl-1-ethylsulfonylazetidine has a molecular weight of 205.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethylsulfonylazetidine is sourced from PubChem (CID 146624586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).