1-piperidin-1-ylethanethiol

C7H15NS — CID 22035330

IUPAC1-piperidin-1-ylethanethiol
SMILESCC(S)N1CCCCC1
InChIInChI=1S/C7H15NS/c1-7(9)8-5-3-2-4-6-8/h7,9H,2-6H2,1H3
InChIKeyXLYYTNVOZDARLF-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.75
Rot. Bonds1

About 1-piperidin-1-ylethanethiol

1-piperidin-1-ylethanethiol (PubChem CID 22035330) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-piperidin-1-ylethanethiol.

Molecular Properties

Compound Name1-piperidin-1-ylethanethiol
PubChem CID22035330
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-piperidin-1-ylethanethiol
SMILESCC(S)N1CCCCC1
InChIInChI=1S/C7H15NS/c1-7(9)8-5-3-2-4-6-8/h7,9H,2-6H2,1H3
InChIKeyXLYYTNVOZDARLF-UHFFFAOYSA-N
XLogP1.75
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylethanethiol?
The IUPAC name of 1-piperidin-1-ylethanethiol (CID 22035330) is 1-piperidin-1-ylethanethiol.
What is the SMILES notation for 1-piperidin-1-ylethanethiol?
The canonical SMILES for 1-piperidin-1-ylethanethiol is CC(S)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylethanethiol?
The InChIKey is XLYYTNVOZDARLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(9)8-5-3-2-4-6-8/h7,9H,2-6H2,1H3.
What are the key properties of 1-piperidin-1-ylethanethiol?
1-piperidin-1-ylethanethiol has a molecular weight of 145.27 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylethanethiol is sourced from PubChem (CID 22035330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).