3-(piperidin-1-ylmethyl)pentane-1-thiol

C11H23NS — CID 23362437

IUPAC3-(piperidin-1-ylmethyl)pentane-1-thiol
SMILESCCC(CCS)CN1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-11(6-9-13)10-12-7-4-3-5-8-12/h11,13H,2-10H2,1H3
InChIKeyPLSRYEJJFJGFOG-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.82
Rot. Bonds5

About 3-(piperidin-1-ylmethyl)pentane-1-thiol

3-(piperidin-1-ylmethyl)pentane-1-thiol (PubChem CID 23362437) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)pentane-1-thiol.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)pentane-1-thiol
PubChem CID23362437
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-(piperidin-1-ylmethyl)pentane-1-thiol
SMILESCCC(CCS)CN1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-11(6-9-13)10-12-7-4-3-5-8-12/h11,13H,2-10H2,1H3
InChIKeyPLSRYEJJFJGFOG-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.82
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 3-(piperidin-1-ylmethyl)pentane-1-thiol?
The IUPAC name of 3-(piperidin-1-ylmethyl)pentane-1-thiol (CID 23362437) is 3-(piperidin-1-ylmethyl)pentane-1-thiol.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)pentane-1-thiol?
The canonical SMILES for 3-(piperidin-1-ylmethyl)pentane-1-thiol is CCC(CCS)CN1CCCCC1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)pentane-1-thiol?
The InChIKey is PLSRYEJJFJGFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-2-11(6-9-13)10-12-7-4-3-5-8-12/h11,13H,2-10H2,1H3.
What are the key properties of 3-(piperidin-1-ylmethyl)pentane-1-thiol?
3-(piperidin-1-ylmethyl)pentane-1-thiol has a molecular weight of 201.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)pentane-1-thiol is sourced from PubChem (CID 23362437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).