(2-oxo-2-piperidin-1-ylethyl) carbamimidothioate

C8H15N3OS — CID 36521079

IUPAC(2-oxo-2-piperidin-1-ylethyl) carbamimidothioate
SMILES[H]/N=C(\N)SCC(=O)N1CCCCC1
InChIInChI=1S/C8H15N3OS/c9-8(10)13-6-7(12)11-4-2-1-3-5-11/h1-6H2,(H3,9,10)
InChIKeyADSSSOQGILQPTD-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.63
Rot. Bonds2

About (2-oxo-2-piperidin-1-ylethyl) carbamimidothioate

(2-oxo-2-piperidin-1-ylethyl) carbamimidothioate (PubChem CID 36521079) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) carbamimidothioate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) carbamimidothioate
PubChem CID36521079
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) carbamimidothioate
SMILES[H]/N=C(\N)SCC(=O)N1CCCCC1
InChIInChI=1S/C8H15N3OS/c9-8(10)13-6-7(12)11-4-2-1-3-5-11/h1-6H2,(H3,9,10)
InChIKeyADSSSOQGILQPTD-UHFFFAOYSA-N
XLogP0.63
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2-oxo-2-piperidin-1-ylethyl) carbamimidothioate 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 (2-oxo-2-piperidin-1-ylethyl) carbamimidothioate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) carbamimidothioate (CID 36521079) is (2-oxo-2-piperidin-1-ylethyl) carbamimidothioate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) carbamimidothioate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) carbamimidothioate is [H]/N=C(\N)SCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) carbamimidothioate?
The InChIKey is ADSSSOQGILQPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c9-8(10)13-6-7(12)11-4-2-1-3-5-11/h1-6H2,(H3,9,10).
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) carbamimidothioate?
(2-oxo-2-piperidin-1-ylethyl) carbamimidothioate has a molecular weight of 201.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) carbamimidothioate is sourced from PubChem (CID 36521079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).