1-tert-butyl-3-tert-butylsulfinylazetidine

C11H23NOS — CID 59522769

IUPAC1-tert-butyl-3-tert-butylsulfinylazetidine
SMILESCC(C)(C)N1CC(S(=O)C(C)(C)C)C1
InChIInChI=1S/C11H23NOS/c1-10(2,3)12-7-9(8-12)14(13)11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyAAHBZFCDOQYJTJ-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.02
Rot. Bonds1

About 1-tert-butyl-3-tert-butylsulfinylazetidine

1-tert-butyl-3-tert-butylsulfinylazetidine (PubChem CID 59522769) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-tert-butyl-3-tert-butylsulfinylazetidine.

Molecular Properties

Compound Name1-tert-butyl-3-tert-butylsulfinylazetidine
PubChem CID59522769
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-tert-butyl-3-tert-butylsulfinylazetidine
SMILESCC(C)(C)N1CC(S(=O)C(C)(C)C)C1
InChIInChI=1S/C11H23NOS/c1-10(2,3)12-7-9(8-12)14(13)11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyAAHBZFCDOQYJTJ-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-tert-butylsulfinylazetidine?
The IUPAC name of 1-tert-butyl-3-tert-butylsulfinylazetidine (CID 59522769) is 1-tert-butyl-3-tert-butylsulfinylazetidine.
What is the SMILES notation for 1-tert-butyl-3-tert-butylsulfinylazetidine?
The canonical SMILES for 1-tert-butyl-3-tert-butylsulfinylazetidine is CC(C)(C)N1CC(S(=O)C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-tert-butylsulfinylazetidine?
The InChIKey is AAHBZFCDOQYJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-10(2,3)12-7-9(8-12)14(13)11(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 1-tert-butyl-3-tert-butylsulfinylazetidine?
1-tert-butyl-3-tert-butylsulfinylazetidine has a molecular weight of 217.38 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-tert-butylsulfinylazetidine is sourced from PubChem (CID 59522769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).