1-tert-butyl-4-tert-butylsulfanylpiperidine

C13H27NS — CID 59522756

IUPAC1-tert-butyl-4-tert-butylsulfanylpiperidine
SMILESCC(C)(C)SC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27NS/c1-12(2,3)14-9-7-11(8-10-14)15-13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyGVIXDRCVIYWKIM-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.78
Rot. Bonds1

About 1-tert-butyl-4-tert-butylsulfanylpiperidine

1-tert-butyl-4-tert-butylsulfanylpiperidine (PubChem CID 59522756) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 1-tert-butyl-4-tert-butylsulfanylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-tert-butylsulfanylpiperidine
PubChem CID59522756
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name1-tert-butyl-4-tert-butylsulfanylpiperidine
SMILESCC(C)(C)SC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27NS/c1-12(2,3)14-9-7-11(8-10-14)15-13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyGVIXDRCVIYWKIM-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-tert-butylsulfanylpiperidine?
The IUPAC name of 1-tert-butyl-4-tert-butylsulfanylpiperidine (CID 59522756) is 1-tert-butyl-4-tert-butylsulfanylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-tert-butylsulfanylpiperidine?
The canonical SMILES for 1-tert-butyl-4-tert-butylsulfanylpiperidine is CC(C)(C)SC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-tert-butylsulfanylpiperidine?
The InChIKey is GVIXDRCVIYWKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-12(2,3)14-9-7-11(8-10-14)15-13(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-4-tert-butylsulfanylpiperidine?
1-tert-butyl-4-tert-butylsulfanylpiperidine has a molecular weight of 229.43 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-tert-butylsulfanylpiperidine is sourced from PubChem (CID 59522756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).