1-piperidin-1-ylpropane-2-thiol

C8H17NS — CID 13049110

IUPAC1-piperidin-1-ylpropane-2-thiol
SMILESCC(S)CN1CCCCC1
InChIInChI=1S/C8H17NS/c1-8(10)7-9-5-3-2-4-6-9/h8,10H,2-7H2,1H3
InChIKeyOBZVEAPNGWAFKD-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.79
Rot. Bonds2

About 1-piperidin-1-ylpropane-2-thiol

1-piperidin-1-ylpropane-2-thiol (PubChem CID 13049110) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-piperidin-1-ylpropane-2-thiol.

Molecular Properties

Compound Name1-piperidin-1-ylpropane-2-thiol
PubChem CID13049110
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-piperidin-1-ylpropane-2-thiol
SMILESCC(S)CN1CCCCC1
InChIInChI=1S/C8H17NS/c1-8(10)7-9-5-3-2-4-6-9/h8,10H,2-7H2,1H3
InChIKeyOBZVEAPNGWAFKD-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-piperidin-1-ylpropane-2-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropane-2-thiol?
The IUPAC name of 1-piperidin-1-ylpropane-2-thiol (CID 13049110) is 1-piperidin-1-ylpropane-2-thiol.
What is the SMILES notation for 1-piperidin-1-ylpropane-2-thiol?
The canonical SMILES for 1-piperidin-1-ylpropane-2-thiol is CC(S)CN1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylpropane-2-thiol?
The InChIKey is OBZVEAPNGWAFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(10)7-9-5-3-2-4-6-9/h8,10H,2-7H2,1H3.
What are the key properties of 1-piperidin-1-ylpropane-2-thiol?
1-piperidin-1-ylpropane-2-thiol has a molecular weight of 159.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropane-2-thiol is sourced from PubChem (CID 13049110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).