2-tert-butyl-1-propylsulfonylazetidine

C10H21NO2S — CID 67953048

IUPAC2-tert-butyl-1-propylsulfonylazetidine
SMILESCCCS(=O)(=O)N1CCC1C(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-5-8-14(12,13)11-7-6-9(11)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyWNENAPQYQQYSKD-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.85
Rot. Bonds3

About 2-tert-butyl-1-propylsulfonylazetidine

2-tert-butyl-1-propylsulfonylazetidine (PubChem CID 67953048) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-tert-butyl-1-propylsulfonylazetidine.

Molecular Properties

Compound Name2-tert-butyl-1-propylsulfonylazetidine
PubChem CID67953048
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-tert-butyl-1-propylsulfonylazetidine
SMILESCCCS(=O)(=O)N1CCC1C(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-5-8-14(12,13)11-7-6-9(11)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyWNENAPQYQQYSKD-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-propylsulfonylazetidine?
The IUPAC name of 2-tert-butyl-1-propylsulfonylazetidine (CID 67953048) is 2-tert-butyl-1-propylsulfonylazetidine.
What is the SMILES notation for 2-tert-butyl-1-propylsulfonylazetidine?
The canonical SMILES for 2-tert-butyl-1-propylsulfonylazetidine is CCCS(=O)(=O)N1CCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-propylsulfonylazetidine?
The InChIKey is WNENAPQYQQYSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-8-14(12,13)11-7-6-9(11)10(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-1-propylsulfonylazetidine?
2-tert-butyl-1-propylsulfonylazetidine has a molecular weight of 219.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-propylsulfonylazetidine is sourced from PubChem (CID 67953048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).