1-(2-tert-butylsulfanylethyl)piperidine

C11H23NS — CID 22960496

IUPAC1-(2-tert-butylsulfanylethyl)piperidine
SMILESCC(C)(C)SCCN1CCCCC1
InChIInChI=1S/C11H23NS/c1-11(2,3)13-10-9-12-7-5-4-6-8-12/h4-10H2,1-3H3
InChIKeyNNPFPKHUURDUKM-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.00
Rot. Bonds3

About 1-(2-tert-butylsulfanylethyl)piperidine

1-(2-tert-butylsulfanylethyl)piperidine (PubChem CID 22960496) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-(2-tert-butylsulfanylethyl)piperidine.

Molecular Properties

Compound Name1-(2-tert-butylsulfanylethyl)piperidine
PubChem CID22960496
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-(2-tert-butylsulfanylethyl)piperidine
SMILESCC(C)(C)SCCN1CCCCC1
InChIInChI=1S/C11H23NS/c1-11(2,3)13-10-9-12-7-5-4-6-8-12/h4-10H2,1-3H3
InChIKeyNNPFPKHUURDUKM-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-(2-tert-butylsulfanylethyl)piperidine?
The IUPAC name of 1-(2-tert-butylsulfanylethyl)piperidine (CID 22960496) is 1-(2-tert-butylsulfanylethyl)piperidine.
What is the SMILES notation for 1-(2-tert-butylsulfanylethyl)piperidine?
The canonical SMILES for 1-(2-tert-butylsulfanylethyl)piperidine is CC(C)(C)SCCN1CCCCC1.
What is the InChIKey of 1-(2-tert-butylsulfanylethyl)piperidine?
The InChIKey is NNPFPKHUURDUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-11(2,3)13-10-9-12-7-5-4-6-8-12/h4-10H2,1-3H3.
What are the key properties of 1-(2-tert-butylsulfanylethyl)piperidine?
1-(2-tert-butylsulfanylethyl)piperidine has a molecular weight of 201.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfanylethyl)piperidine is sourced from PubChem (CID 22960496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).