4-tert-butylsulfanylpiperidine;hydrochloride

C9H20ClNS — CID 72716464

IUPAC4-tert-butylsulfanylpiperidine;hydrochloride
SMILESCC(C)(C)SC1CCNCC1.Cl
InChIInChI=1S/C9H19NS.ClH/c1-9(2,3)11-8-4-6-10-7-5-8;/h8,10H,4-7H2,1-3H3;1H
InChIKeyPJFPFZHVKNBYHZ-UHFFFAOYSA-N
MW209.79 g/mol
LogP2.69
Rot. Bonds1

About 4-tert-butylsulfanylpiperidine;hydrochloride

4-tert-butylsulfanylpiperidine;hydrochloride (PubChem CID 72716464) has the molecular formula C9H20ClNS and a molecular weight of 209.79 g/mol. Its IUPAC name is 4-tert-butylsulfanylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-tert-butylsulfanylpiperidine;hydrochloride
PubChem CID72716464
Molecular FormulaC9H20ClNS
Molecular Weight209.79 g/mol
Exact Mass209.10
IUPAC Name4-tert-butylsulfanylpiperidine;hydrochloride
SMILESCC(C)(C)SC1CCNCC1.Cl
InChIInChI=1S/C9H19NS.ClH/c1-9(2,3)11-8-4-6-10-7-5-8;/h8,10H,4-7H2,1-3H3;1H
InChIKeyPJFPFZHVKNBYHZ-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.79
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanylpiperidine;hydrochloride?
The IUPAC name of 4-tert-butylsulfanylpiperidine;hydrochloride (CID 72716464) is 4-tert-butylsulfanylpiperidine;hydrochloride.
What is the SMILES notation for 4-tert-butylsulfanylpiperidine;hydrochloride?
The canonical SMILES for 4-tert-butylsulfanylpiperidine;hydrochloride is CC(C)(C)SC1CCNCC1.Cl.
What is the InChIKey of 4-tert-butylsulfanylpiperidine;hydrochloride?
The InChIKey is PJFPFZHVKNBYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS.ClH/c1-9(2,3)11-8-4-6-10-7-5-8;/h8,10H,4-7H2,1-3H3;1H.
What are the key properties of 4-tert-butylsulfanylpiperidine;hydrochloride?
4-tert-butylsulfanylpiperidine;hydrochloride has a molecular weight of 209.79 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanylpiperidine;hydrochloride is sourced from PubChem (CID 72716464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).