1-tert-butyl-3-tert-butylsulfanylazetidine

C11H23NS — CID 59522765

IUPAC1-tert-butyl-3-tert-butylsulfanylazetidine
SMILESCC(C)(C)SC1CN(C(C)(C)C)C1
InChIInChI=1S/C11H23NS/c1-10(2,3)12-7-9(8-12)13-11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyYKQNLKQDWWAIBV-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.00
Rot. Bonds1

About 1-tert-butyl-3-tert-butylsulfanylazetidine

1-tert-butyl-3-tert-butylsulfanylazetidine (PubChem CID 59522765) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-tert-butyl-3-tert-butylsulfanylazetidine.

Molecular Properties

Compound Name1-tert-butyl-3-tert-butylsulfanylazetidine
PubChem CID59522765
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-tert-butyl-3-tert-butylsulfanylazetidine
SMILESCC(C)(C)SC1CN(C(C)(C)C)C1
InChIInChI=1S/C11H23NS/c1-10(2,3)12-7-9(8-12)13-11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyYKQNLKQDWWAIBV-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.00
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-butylsulfanylazetidine?
The IUPAC name of 1-tert-butyl-3-tert-butylsulfanylazetidine (CID 59522765) is 1-tert-butyl-3-tert-butylsulfanylazetidine.
What is the SMILES notation for 1-tert-butyl-3-tert-butylsulfanylazetidine?
The canonical SMILES for 1-tert-butyl-3-tert-butylsulfanylazetidine is CC(C)(C)SC1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-tert-butylsulfanylazetidine?
The InChIKey is YKQNLKQDWWAIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-10(2,3)12-7-9(8-12)13-11(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 1-tert-butyl-3-tert-butylsulfanylazetidine?
1-tert-butyl-3-tert-butylsulfanylazetidine has a molecular weight of 201.38 g/mol, XLogP of 3.00, 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-butylsulfanylazetidine is sourced from PubChem (CID 59522765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).