1-piperidin-1-ylprop-2-ene-1-thiol

C8H15NS — CID 87605605

IUPAC1-piperidin-1-ylprop-2-ene-1-thiol
SMILESC=CC(S)N1CCCCC1
InChIInChI=1S/C8H15NS/c1-2-8(10)9-6-4-3-5-7-9/h2,8,10H,1,3-7H2
InChIKeyDIHDCBNIUPYXIL-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.91
Rot. Bonds2

About 1-piperidin-1-ylprop-2-ene-1-thiol

1-piperidin-1-ylprop-2-ene-1-thiol (PubChem CID 87605605) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-piperidin-1-ylprop-2-ene-1-thiol.

Molecular Properties

Compound Name1-piperidin-1-ylprop-2-ene-1-thiol
PubChem CID87605605
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-piperidin-1-ylprop-2-ene-1-thiol
SMILESC=CC(S)N1CCCCC1
InChIInChI=1S/C8H15NS/c1-2-8(10)9-6-4-3-5-7-9/h2,8,10H,1,3-7H2
InChIKeyDIHDCBNIUPYXIL-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylprop-2-ene-1-thiol?
The IUPAC name of 1-piperidin-1-ylprop-2-ene-1-thiol (CID 87605605) is 1-piperidin-1-ylprop-2-ene-1-thiol.
What is the SMILES notation for 1-piperidin-1-ylprop-2-ene-1-thiol?
The canonical SMILES for 1-piperidin-1-ylprop-2-ene-1-thiol is C=CC(S)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylprop-2-ene-1-thiol?
The InChIKey is DIHDCBNIUPYXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-8(10)9-6-4-3-5-7-9/h2,8,10H,1,3-7H2.
What are the key properties of 1-piperidin-1-ylprop-2-ene-1-thiol?
1-piperidin-1-ylprop-2-ene-1-thiol has a molecular weight of 157.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylprop-2-ene-1-thiol is sourced from PubChem (CID 87605605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).