1-(2-butylsulfanylhexyl)piperidine

C15H31NS — CID 10587268

IUPAC1-(2-butylsulfanylhexyl)piperidine
SMILESCCCCSC(CCCC)CN1CCCCC1
InChIInChI=1S/C15H31NS/c1-3-5-10-15(17-13-6-4-2)14-16-11-8-7-9-12-16/h15H,3-14H2,1-2H3
InChIKeyQWGQUMNUKREAJF-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.56
Rot. Bonds9

About 1-(2-butylsulfanylhexyl)piperidine

1-(2-butylsulfanylhexyl)piperidine (PubChem CID 10587268) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 1-(2-butylsulfanylhexyl)piperidine.

Molecular Properties

Compound Name1-(2-butylsulfanylhexyl)piperidine
PubChem CID10587268
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name1-(2-butylsulfanylhexyl)piperidine
SMILESCCCCSC(CCCC)CN1CCCCC1
InChIInChI=1S/C15H31NS/c1-3-5-10-15(17-13-6-4-2)14-16-11-8-7-9-12-16/h15H,3-14H2,1-2H3
InChIKeyQWGQUMNUKREAJF-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
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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Related Compounds

1-(2-fluorohexyl)pyrrolidine
CID 177054095
(2S)-1-(azepan-1-yl)-3-butylsulfanylpropan-2-ol
CID 2255692
1-octan-3-ylsulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 70625265
methyl 4-(3-ethoxy-3-oxopropyl)sulfanyl-5-piperidin-1-ylpentanoate
CID 10664269
6-butylsulfanyldodecane
CID 137401964
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
1-octan-4-ylazonane
CID 123427772
1-piperidin-1-ylpentan-2-amine
CID 43650435
1-dodecylsulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 70616979
CID 162323144
CID 162323144
methane;1-octan-4-ylpiperidine
CID 143122058
1-undecan-5-ylpiperidine
CID 174506253

Frequently Asked Questions

What is the IUPAC name of 1-(2-butylsulfanylhexyl)piperidine?
The IUPAC name of 1-(2-butylsulfanylhexyl)piperidine (CID 10587268) is 1-(2-butylsulfanylhexyl)piperidine.
What is the SMILES notation for 1-(2-butylsulfanylhexyl)piperidine?
The canonical SMILES for 1-(2-butylsulfanylhexyl)piperidine is CCCCSC(CCCC)CN1CCCCC1.
What is the InChIKey of 1-(2-butylsulfanylhexyl)piperidine?
The InChIKey is QWGQUMNUKREAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-3-5-10-15(17-13-6-4-2)14-16-11-8-7-9-12-16/h15H,3-14H2,1-2H3.
What are the key properties of 1-(2-butylsulfanylhexyl)piperidine?
1-(2-butylsulfanylhexyl)piperidine has a molecular weight of 257.49 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylsulfanylhexyl)piperidine is sourced from PubChem (CID 10587268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).