1-tert-butyl-3-tert-butylsulfanylpyrrolidine

C12H25NS — CID 59522782

IUPAC1-tert-butyl-3-tert-butylsulfanylpyrrolidine
SMILESCC(C)(C)SC1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H25NS/c1-11(2,3)13-8-7-10(9-13)14-12(4,5)6/h10H,7-9H2,1-6H3
InChIKeyUCIDDOOPKXEMCU-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.39
Rot. Bonds1

About 1-tert-butyl-3-tert-butylsulfanylpyrrolidine

1-tert-butyl-3-tert-butylsulfanylpyrrolidine (PubChem CID 59522782) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 1-tert-butyl-3-tert-butylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3-tert-butylsulfanylpyrrolidine
PubChem CID59522782
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name1-tert-butyl-3-tert-butylsulfanylpyrrolidine
SMILESCC(C)(C)SC1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H25NS/c1-11(2,3)13-8-7-10(9-13)14-12(4,5)6/h10H,7-9H2,1-6H3
InChIKeyUCIDDOOPKXEMCU-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.39
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-butylsulfanylpyrrolidine?
The IUPAC name of 1-tert-butyl-3-tert-butylsulfanylpyrrolidine (CID 59522782) is 1-tert-butyl-3-tert-butylsulfanylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-3-tert-butylsulfanylpyrrolidine?
The canonical SMILES for 1-tert-butyl-3-tert-butylsulfanylpyrrolidine is CC(C)(C)SC1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-tert-butylsulfanylpyrrolidine?
The InChIKey is UCIDDOOPKXEMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-11(2,3)13-8-7-10(9-13)14-12(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of 1-tert-butyl-3-tert-butylsulfanylpyrrolidine?
1-tert-butyl-3-tert-butylsulfanylpyrrolidine has a molecular weight of 215.41 g/mol, XLogP of 3.39, 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-butylsulfanylpyrrolidine is sourced from PubChem (CID 59522782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).