1-piperidin-1-ylprop-2-ene-1-thione

C8H13NS — CID 167111795

IUPAC1-piperidin-1-ylprop-2-ene-1-thione
SMILESC=CC(=S)N1CCCCC1
InChIInChI=1S/C8H13NS/c1-2-8(10)9-6-4-3-5-7-9/h2H,1,3-7H2
InChIKeyPQSFJGMZCUVWSC-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.99
Rot. Bonds1

About 1-piperidin-1-ylprop-2-ene-1-thione

1-piperidin-1-ylprop-2-ene-1-thione (PubChem CID 167111795) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-piperidin-1-ylprop-2-ene-1-thione.

Molecular Properties

Compound Name1-piperidin-1-ylprop-2-ene-1-thione
PubChem CID167111795
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-piperidin-1-ylprop-2-ene-1-thione
SMILESC=CC(=S)N1CCCCC1
InChIInChI=1S/C8H13NS/c1-2-8(10)9-6-4-3-5-7-9/h2H,1,3-7H2
InChIKeyPQSFJGMZCUVWSC-UHFFFAOYSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2E)-3-methyl-1-pyrrolidin-1-ylhepta-2,6-diene-1-thione
CID 12624379
(E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione
CID 15473911
N-ethenylpyrrolidine-1-carbothioamide
CID 143146556
CID 140773790
CID 140773790
1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide
CID 70414957
cadmium(2+);bis(piperidine-1-carbodithioate)
CID 4196090
1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one
CID 70520596
1-(azetidin-1-yl)prop-2-en-1-one
CID 25230596
sodium pyrrolidine-1-carbodithioic acid
CID 54605882
N-ethenylazepane-1-carboxamide
CID 108909170
acetaldehyde;1-pyrrolidin-1-ylprop-2-en-1-one
CID 156736748
1-(piperidine-1-carbothioylamino)-3-prop-2-enylthiourea
CID 4117717

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylprop-2-ene-1-thione?
The IUPAC name of 1-piperidin-1-ylprop-2-ene-1-thione (CID 167111795) is 1-piperidin-1-ylprop-2-ene-1-thione.
What is the SMILES notation for 1-piperidin-1-ylprop-2-ene-1-thione?
The canonical SMILES for 1-piperidin-1-ylprop-2-ene-1-thione is C=CC(=S)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylprop-2-ene-1-thione?
The InChIKey is PQSFJGMZCUVWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-8(10)9-6-4-3-5-7-9/h2H,1,3-7H2.
What are the key properties of 1-piperidin-1-ylprop-2-ene-1-thione?
1-piperidin-1-ylprop-2-ene-1-thione has a molecular weight of 155.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylprop-2-ene-1-thione is sourced from PubChem (CID 167111795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).