1-(sulfinoamino)piperazine

C4H11N3O2S — CID 57289052

IUPAC1-(sulfinoamino)piperazine
SMILESO=S(O)NN1CCNCC1
InChIInChI=1S/C4H11N3O2S/c8-10(9)6-7-3-1-5-2-4-7/h5-6H,1-4H2,(H,8,9)
InChIKeyDIZWIISEUXOKIO-UHFFFAOYSA-N
MW165.22 g/mol
LogP-1.47
Rot. Bonds2

About 1-(sulfinoamino)piperazine

1-(sulfinoamino)piperazine (PubChem CID 57289052) has the molecular formula C4H11N3O2S and a molecular weight of 165.22 g/mol. Its IUPAC name is 1-(sulfinoamino)piperazine.

Molecular Properties

Compound Name1-(sulfinoamino)piperazine
PubChem CID57289052
Molecular FormulaC4H11N3O2S
Molecular Weight165.22 g/mol
Exact Mass165.06
IUPAC Name1-(sulfinoamino)piperazine
SMILESO=S(O)NN1CCNCC1
InChIInChI=1S/C4H11N3O2S/c8-10(9)6-7-3-1-5-2-4-7/h5-6H,1-4H2,(H,8,9)
InChIKeyDIZWIISEUXOKIO-UHFFFAOYSA-N
XLogP-1.47
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(sulfinoamino)piperazine 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-(sulfinoamino)piperazine?
The IUPAC name of 1-(sulfinoamino)piperazine (CID 57289052) is 1-(sulfinoamino)piperazine.
What is the SMILES notation for 1-(sulfinoamino)piperazine?
The canonical SMILES for 1-(sulfinoamino)piperazine is O=S(O)NN1CCNCC1.
What is the InChIKey of 1-(sulfinoamino)piperazine?
The InChIKey is DIZWIISEUXOKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2S/c8-10(9)6-7-3-1-5-2-4-7/h5-6H,1-4H2,(H,8,9).
What are the key properties of 1-(sulfinoamino)piperazine?
1-(sulfinoamino)piperazine has a molecular weight of 165.22 g/mol, XLogP of -1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinoamino)piperazine is sourced from PubChem (CID 57289052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).