1-(2-heptylsulfanylethyl)piperidine

C14H29NS — CID 18965281

IUPAC1-(2-heptylsulfanylethyl)piperidine
SMILESCCCCCCCSCCN1CCCCC1
InChIInChI=1S/C14H29NS/c1-2-3-4-5-9-13-16-14-12-15-10-7-6-8-11-15/h2-14H2,1H3
InChIKeyJEHFCRJCYBCNLQ-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.18
Rot. Bonds9

About 1-(2-heptylsulfanylethyl)piperidine

1-(2-heptylsulfanylethyl)piperidine (PubChem CID 18965281) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 1-(2-heptylsulfanylethyl)piperidine.

Molecular Properties

Compound Name1-(2-heptylsulfanylethyl)piperidine
PubChem CID18965281
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name1-(2-heptylsulfanylethyl)piperidine
SMILESCCCCCCCSCCN1CCCCC1
InChIInChI=1S/C14H29NS/c1-2-3-4-5-9-13-16-14-12-15-10-7-6-8-11-15/h2-14H2,1H3
InChIKeyJEHFCRJCYBCNLQ-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.18
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-(2-heptylsulfanylethyl)piperidine?
The IUPAC name of 1-(2-heptylsulfanylethyl)piperidine (CID 18965281) is 1-(2-heptylsulfanylethyl)piperidine.
What is the SMILES notation for 1-(2-heptylsulfanylethyl)piperidine?
The canonical SMILES for 1-(2-heptylsulfanylethyl)piperidine is CCCCCCCSCCN1CCCCC1.
What is the InChIKey of 1-(2-heptylsulfanylethyl)piperidine?
The InChIKey is JEHFCRJCYBCNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-2-3-4-5-9-13-16-14-12-15-10-7-6-8-11-15/h2-14H2,1H3.
What are the key properties of 1-(2-heptylsulfanylethyl)piperidine?
1-(2-heptylsulfanylethyl)piperidine has a molecular weight of 243.46 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-heptylsulfanylethyl)piperidine is sourced from PubChem (CID 18965281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).