1-[(2-phenylsulfanylphenyl)methyl]piperidine

C18H21NS — CID 3080263

IUPAC1-[(2-phenylsulfanylphenyl)methyl]piperidine
SMILESc1ccc(Sc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C18H21NS/c1-3-10-17(11-4-1)20-18-12-6-5-9-16(18)15-19-13-7-2-8-14-19/h1,3-6,9-12H,2,7-8,13-15H2
InChIKeyGIIKOPZJCKETRH-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.82
Rot. Bonds4

About 1-[(2-phenylsulfanylphenyl)methyl]piperidine

1-[(2-phenylsulfanylphenyl)methyl]piperidine (PubChem CID 3080263) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[(2-phenylsulfanylphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-phenylsulfanylphenyl)methyl]piperidine
PubChem CID3080263
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name1-[(2-phenylsulfanylphenyl)methyl]piperidine
SMILESc1ccc(Sc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C18H21NS/c1-3-10-17(11-4-1)20-18-12-6-5-9-16(18)15-19-13-7-2-8-14-19/h1,3-6,9-12H,2,7-8,13-15H2
InChIKeyGIIKOPZJCKETRH-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylsulfanylphenyl)methyl]piperidine?
The IUPAC name of 1-[(2-phenylsulfanylphenyl)methyl]piperidine (CID 3080263) is 1-[(2-phenylsulfanylphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(2-phenylsulfanylphenyl)methyl]piperidine?
The canonical SMILES for 1-[(2-phenylsulfanylphenyl)methyl]piperidine is c1ccc(Sc2ccccc2CN2CCCCC2)cc1.
What is the InChIKey of 1-[(2-phenylsulfanylphenyl)methyl]piperidine?
The InChIKey is GIIKOPZJCKETRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-3-10-17(11-4-1)20-18-12-6-5-9-16(18)15-19-13-7-2-8-14-19/h1,3-6,9-12H,2,7-8,13-15H2.
What are the key properties of 1-[(2-phenylsulfanylphenyl)methyl]piperidine?
1-[(2-phenylsulfanylphenyl)methyl]piperidine has a molecular weight of 283.44 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylsulfanylphenyl)methyl]piperidine is sourced from PubChem (CID 3080263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).