1-tert-butyl-3-methylsulfanylazetidine

C8H17NS — CID 166854764

IUPAC1-tert-butyl-3-methylsulfanylazetidine
SMILESCSC1CN(C(C)(C)C)C1
InChIInChI=1S/C8H17NS/c1-8(2,3)9-5-7(6-9)10-4/h7H,5-6H2,1-4H3
InChIKeyWXTBUWHEEUJNDN-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds1

About 1-tert-butyl-3-methylsulfanylazetidine

1-tert-butyl-3-methylsulfanylazetidine (PubChem CID 166854764) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-tert-butyl-3-methylsulfanylazetidine.

Molecular Properties

Compound Name1-tert-butyl-3-methylsulfanylazetidine
PubChem CID166854764
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-tert-butyl-3-methylsulfanylazetidine
SMILESCSC1CN(C(C)(C)C)C1
InChIInChI=1S/C8H17NS/c1-8(2,3)9-5-7(6-9)10-4/h7H,5-6H2,1-4H3
InChIKeyWXTBUWHEEUJNDN-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
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-methylsulfanylazetidine?
The IUPAC name of 1-tert-butyl-3-methylsulfanylazetidine (CID 166854764) is 1-tert-butyl-3-methylsulfanylazetidine.
What is the SMILES notation for 1-tert-butyl-3-methylsulfanylazetidine?
The canonical SMILES for 1-tert-butyl-3-methylsulfanylazetidine is CSC1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-methylsulfanylazetidine?
The InChIKey is WXTBUWHEEUJNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2,3)9-5-7(6-9)10-4/h7H,5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-3-methylsulfanylazetidine?
1-tert-butyl-3-methylsulfanylazetidine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 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-methylsulfanylazetidine is sourced from PubChem (CID 166854764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).