4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine

C14H27NS — CID 67494011

IUPAC4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(CSCCCCC)CC1
InChIInChI=1S/C14H27NS/c1-3-5-6-12-16-13-14-7-10-15(9-4-2)11-8-14/h4,14H,2-3,5-13H2,1H3
InChIKeyOODNWSOOYYOSOU-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.81
Rot. Bonds8

About 4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine

4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine (PubChem CID 67494011) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine
PubChem CID67494011
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(CSCCCCC)CC1
InChIInChI=1S/C14H27NS/c1-3-5-6-12-16-13-14-7-10-15(9-4-2)11-8-14/h4,14H,2-3,5-13H2,1H3
InChIKeyOODNWSOOYYOSOU-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine?
The IUPAC name of 4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine (CID 67494011) is 4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine.
What is the SMILES notation for 4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine?
The canonical SMILES for 4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine is C=CCN1CCC(CSCCCCC)CC1.
What is the InChIKey of 4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine?
The InChIKey is OODNWSOOYYOSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-3-5-6-12-16-13-14-7-10-15(9-4-2)11-8-14/h4,14H,2-3,5-13H2,1H3.
What are the key properties of 4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine?
4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine has a molecular weight of 241.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine is sourced from PubChem (CID 67494011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).