4-(thiolan-3-yl)piperazine-1-carboximidamide

C9H18N4S — CID 121201882

IUPAC4-(thiolan-3-yl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C2CCSC2)CC1
InChIInChI=1S/C9H18N4S/c10-9(11)13-4-2-12(3-5-13)8-1-6-14-7-8/h8H,1-7H2,(H3,10,11)
InChIKeyWTPXBKRJFRMYNF-UHFFFAOYSA-N
MW214.34 g/mol
LogP0.00
Rot. Bonds1

About 4-(thiolan-3-yl)piperazine-1-carboximidamide

4-(thiolan-3-yl)piperazine-1-carboximidamide (PubChem CID 121201882) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 4-(thiolan-3-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(thiolan-3-yl)piperazine-1-carboximidamide
PubChem CID121201882
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name4-(thiolan-3-yl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C2CCSC2)CC1
InChIInChI=1S/C9H18N4S/c10-9(11)13-4-2-12(3-5-13)8-1-6-14-7-8/h8H,1-7H2,(H3,10,11)
InChIKeyWTPXBKRJFRMYNF-UHFFFAOYSA-N
XLogP0.00
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 50.00
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-3-yl)piperazine-1-carboximidamide?
The IUPAC name of 4-(thiolan-3-yl)piperazine-1-carboximidamide (CID 121201882) is 4-(thiolan-3-yl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(thiolan-3-yl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(thiolan-3-yl)piperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(C2CCSC2)CC1.
What is the InChIKey of 4-(thiolan-3-yl)piperazine-1-carboximidamide?
The InChIKey is WTPXBKRJFRMYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c10-9(11)13-4-2-12(3-5-13)8-1-6-14-7-8/h8H,1-7H2,(H3,10,11).
What are the key properties of 4-(thiolan-3-yl)piperazine-1-carboximidamide?
4-(thiolan-3-yl)piperazine-1-carboximidamide has a molecular weight of 214.34 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 121201882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).