1-tert-butyl-4-ethylsulfanylpiperidine

C11H23NS — CID 90326333

IUPAC1-tert-butyl-4-ethylsulfanylpiperidine
SMILESCCSC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H23NS/c1-5-13-10-6-8-12(9-7-10)11(2,3)4/h10H,5-9H2,1-4H3
InChIKeyMGSREYCHVSIBQJ-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.00
Rot. Bonds2

About 1-tert-butyl-4-ethylsulfanylpiperidine

1-tert-butyl-4-ethylsulfanylpiperidine (PubChem CID 90326333) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-tert-butyl-4-ethylsulfanylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-ethylsulfanylpiperidine
PubChem CID90326333
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-tert-butyl-4-ethylsulfanylpiperidine
SMILESCCSC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H23NS/c1-5-13-10-6-8-12(9-7-10)11(2,3)4/h10H,5-9H2,1-4H3
InChIKeyMGSREYCHVSIBQJ-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-4-ethylsulfanylpiperidine?
The IUPAC name of 1-tert-butyl-4-ethylsulfanylpiperidine (CID 90326333) is 1-tert-butyl-4-ethylsulfanylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-ethylsulfanylpiperidine?
The canonical SMILES for 1-tert-butyl-4-ethylsulfanylpiperidine is CCSC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-ethylsulfanylpiperidine?
The InChIKey is MGSREYCHVSIBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-13-10-6-8-12(9-7-10)11(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-4-ethylsulfanylpiperidine?
1-tert-butyl-4-ethylsulfanylpiperidine has a molecular weight of 201.38 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethylsulfanylpiperidine is sourced from PubChem (CID 90326333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).