2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol

C15H29NS — CID 153356358

IUPAC2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol
SMILESC=C(CCCCCC)N1CCC(CCS)CC1
InChIInChI=1S/C15H29NS/c1-3-4-5-6-7-14(2)16-11-8-15(9-12-16)10-13-17/h15,17H,2-13H2,1H3
InChIKeyUJDMMWGZQTZBNJ-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.50
Rot. Bonds8

About 2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol

2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol (PubChem CID 153356358) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol.

Molecular Properties

Compound Name2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol
PubChem CID153356358
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol
SMILESC=C(CCCCCC)N1CCC(CCS)CC1
InChIInChI=1S/C15H29NS/c1-3-4-5-6-7-14(2)16-11-8-15(9-12-16)10-13-17/h15,17H,2-13H2,1H3
InChIKeyUJDMMWGZQTZBNJ-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol?
The IUPAC name of 2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol (CID 153356358) is 2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol.
What is the SMILES notation for 2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol?
The canonical SMILES for 2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol is C=C(CCCCCC)N1CCC(CCS)CC1.
What is the InChIKey of 2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol?
The InChIKey is UJDMMWGZQTZBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-3-4-5-6-7-14(2)16-11-8-15(9-12-16)10-13-17/h15,17H,2-13H2,1H3.
What are the key properties of 2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol?
2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol has a molecular weight of 255.47 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oct-1-en-2-ylpiperidin-4-yl)ethanethiol is sourced from PubChem (CID 153356358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).