4-(thiolan-3-yl)piperazin-1-amine

C8H17N3S — CID 121201883

IUPAC4-(thiolan-3-yl)piperazin-1-amine
SMILESNN1CCN(C2CCSC2)CC1
InChIInChI=1S/C8H17N3S/c9-11-4-2-10(3-5-11)8-1-6-12-7-8/h8H,1-7,9H2
InChIKeyWDLZKOLLPXRXKB-UHFFFAOYSA-N
MW187.31 g/mol
LogP-0.02
Rot. Bonds1

About 4-(thiolan-3-yl)piperazin-1-amine

4-(thiolan-3-yl)piperazin-1-amine (PubChem CID 121201883) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 4-(thiolan-3-yl)piperazin-1-amine.

Molecular Properties

Compound Name4-(thiolan-3-yl)piperazin-1-amine
PubChem CID121201883
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name4-(thiolan-3-yl)piperazin-1-amine
SMILESNN1CCN(C2CCSC2)CC1
InChIInChI=1S/C8H17N3S/c9-11-4-2-10(3-5-11)8-1-6-12-7-8/h8H,1-7,9H2
InChIKeyWDLZKOLLPXRXKB-UHFFFAOYSA-N
XLogP-0.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(thiolan-3-yl)piperazin-1-amine 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 4-(thiolan-3-yl)piperazin-1-amine?
The IUPAC name of 4-(thiolan-3-yl)piperazin-1-amine (CID 121201883) is 4-(thiolan-3-yl)piperazin-1-amine.
What is the SMILES notation for 4-(thiolan-3-yl)piperazin-1-amine?
The canonical SMILES for 4-(thiolan-3-yl)piperazin-1-amine is NN1CCN(C2CCSC2)CC1.
What is the InChIKey of 4-(thiolan-3-yl)piperazin-1-amine?
The InChIKey is WDLZKOLLPXRXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c9-11-4-2-10(3-5-11)8-1-6-12-7-8/h8H,1-7,9H2.
What are the key properties of 4-(thiolan-3-yl)piperazin-1-amine?
4-(thiolan-3-yl)piperazin-1-amine has a molecular weight of 187.31 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-yl)piperazin-1-amine is sourced from PubChem (CID 121201883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).