1-(1-phenylsulfanylpentyl)piperidine

C16H25NS — CID 21391029

IUPAC1-(1-phenylsulfanylpentyl)piperidine
SMILESCCCCC(Sc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H25NS/c1-2-3-12-16(17-13-8-5-9-14-17)18-15-10-6-4-7-11-15/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3
InChIKeyJLKXVXPSRYORAD-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.78
Rot. Bonds6

About 1-(1-phenylsulfanylpentyl)piperidine

1-(1-phenylsulfanylpentyl)piperidine (PubChem CID 21391029) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-(1-phenylsulfanylpentyl)piperidine.

Molecular Properties

Compound Name1-(1-phenylsulfanylpentyl)piperidine
PubChem CID21391029
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1-(1-phenylsulfanylpentyl)piperidine
SMILESCCCCC(Sc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H25NS/c1-2-3-12-16(17-13-8-5-9-14-17)18-15-10-6-4-7-11-15/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3
InChIKeyJLKXVXPSRYORAD-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylsulfanylpentyl)piperidine?
The IUPAC name of 1-(1-phenylsulfanylpentyl)piperidine (CID 21391029) is 1-(1-phenylsulfanylpentyl)piperidine.
What is the SMILES notation for 1-(1-phenylsulfanylpentyl)piperidine?
The canonical SMILES for 1-(1-phenylsulfanylpentyl)piperidine is CCCCC(Sc1ccccc1)N1CCCCC1.
What is the InChIKey of 1-(1-phenylsulfanylpentyl)piperidine?
The InChIKey is JLKXVXPSRYORAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-2-3-12-16(17-13-8-5-9-14-17)18-15-10-6-4-7-11-15/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3.
What are the key properties of 1-(1-phenylsulfanylpentyl)piperidine?
1-(1-phenylsulfanylpentyl)piperidine has a molecular weight of 263.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylsulfanylpentyl)piperidine is sourced from PubChem (CID 21391029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).