1-[5-(3-methylbutylsulfanyl)pentyl]piperidine

C15H31NS — CID 18965262

IUPAC1-[5-(3-methylbutylsulfanyl)pentyl]piperidine
SMILESCC(C)CCSCCCCCN1CCCCC1
InChIInChI=1S/C15H31NS/c1-15(2)9-14-17-13-8-4-7-12-16-10-5-3-6-11-16/h15H,3-14H2,1-2H3
InChIKeyWUOGWAPZPZZVFD-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.42
Rot. Bonds9

About 1-[5-(3-methylbutylsulfanyl)pentyl]piperidine

1-[5-(3-methylbutylsulfanyl)pentyl]piperidine (PubChem CID 18965262) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 1-[5-(3-methylbutylsulfanyl)pentyl]piperidine.

Molecular Properties

Compound Name1-[5-(3-methylbutylsulfanyl)pentyl]piperidine
PubChem CID18965262
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name1-[5-(3-methylbutylsulfanyl)pentyl]piperidine
SMILESCC(C)CCSCCCCCN1CCCCC1
InChIInChI=1S/C15H31NS/c1-15(2)9-14-17-13-8-4-7-12-16-10-5-3-6-11-16/h15H,3-14H2,1-2H3
InChIKeyWUOGWAPZPZZVFD-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylbutylsulfanyl)pentyl]piperidine?
The IUPAC name of 1-[5-(3-methylbutylsulfanyl)pentyl]piperidine (CID 18965262) is 1-[5-(3-methylbutylsulfanyl)pentyl]piperidine.
What is the SMILES notation for 1-[5-(3-methylbutylsulfanyl)pentyl]piperidine?
The canonical SMILES for 1-[5-(3-methylbutylsulfanyl)pentyl]piperidine is CC(C)CCSCCCCCN1CCCCC1.
What is the InChIKey of 1-[5-(3-methylbutylsulfanyl)pentyl]piperidine?
The InChIKey is WUOGWAPZPZZVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-15(2)9-14-17-13-8-4-7-12-16-10-5-3-6-11-16/h15H,3-14H2,1-2H3.
What are the key properties of 1-[5-(3-methylbutylsulfanyl)pentyl]piperidine?
1-[5-(3-methylbutylsulfanyl)pentyl]piperidine has a molecular weight of 257.49 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylbutylsulfanyl)pentyl]piperidine is sourced from PubChem (CID 18965262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).