3-benzhydrylsulfanyl-1-ethylpiperidine

C20H25NS — CID 154215417

IUPAC3-benzhydrylsulfanyl-1-ethylpiperidine
SMILESCCN1CCCC(SC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H25NS/c1-2-21-15-9-14-19(16-21)22-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3
InChIKeyIEHMCYUTQUQALJ-UHFFFAOYSA-N
MW311.49 g/mol
LogP4.99
Rot. Bonds5

About 3-benzhydrylsulfanyl-1-ethylpiperidine

3-benzhydrylsulfanyl-1-ethylpiperidine (PubChem CID 154215417) has the molecular formula C20H25NS and a molecular weight of 311.49 g/mol. Its IUPAC name is 3-benzhydrylsulfanyl-1-ethylpiperidine.

Molecular Properties

Compound Name3-benzhydrylsulfanyl-1-ethylpiperidine
PubChem CID154215417
Molecular FormulaC20H25NS
Molecular Weight311.49 g/mol
Exact Mass311.17
IUPAC Name3-benzhydrylsulfanyl-1-ethylpiperidine
SMILESCCN1CCCC(SC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H25NS/c1-2-21-15-9-14-19(16-21)22-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3
InChIKeyIEHMCYUTQUQALJ-UHFFFAOYSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylsulfanyl-1-ethylpiperidine?
The IUPAC name of 3-benzhydrylsulfanyl-1-ethylpiperidine (CID 154215417) is 3-benzhydrylsulfanyl-1-ethylpiperidine.
What is the SMILES notation for 3-benzhydrylsulfanyl-1-ethylpiperidine?
The canonical SMILES for 3-benzhydrylsulfanyl-1-ethylpiperidine is CCN1CCCC(SC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 3-benzhydrylsulfanyl-1-ethylpiperidine?
The InChIKey is IEHMCYUTQUQALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NS/c1-2-21-15-9-14-19(16-21)22-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3.
What are the key properties of 3-benzhydrylsulfanyl-1-ethylpiperidine?
3-benzhydrylsulfanyl-1-ethylpiperidine has a molecular weight of 311.49 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylsulfanyl-1-ethylpiperidine is sourced from PubChem (CID 154215417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).