thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate

C11H12ClN2O2PS — CID 130185150

IUPACthiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate
SMILESO=C(OP=S)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C11H12ClN2O2PS/c12-9-3-1-2-4-10(9)13-5-7-14(8-6-13)11(15)16-17-18/h1-4H,5-8H2
InChIKeyBCZRXYKSLZNRIA-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.92
Rot. Bonds2

About thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate

thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate (PubChem CID 130185150) has the molecular formula C11H12ClN2O2PS and a molecular weight of 302.72 g/mol. Its IUPAC name is thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namethiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate
PubChem CID130185150
Molecular FormulaC11H12ClN2O2PS
Molecular Weight302.72 g/mol
Exact Mass302.00
IUPAC Namethiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate
SMILESO=C(OP=S)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C11H12ClN2O2PS/c12-9-3-1-2-4-10(9)13-5-7-14(8-6-13)11(15)16-17-18/h1-4H,5-8H2
InChIKeyBCZRXYKSLZNRIA-UHFFFAOYSA-N
XLogP2.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate?
The IUPAC name of thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate (CID 130185150) is thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate.
What is the SMILES notation for thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate?
The canonical SMILES for thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate is O=C(OP=S)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate?
The InChIKey is BCZRXYKSLZNRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN2O2PS/c12-9-3-1-2-4-10(9)13-5-7-14(8-6-13)11(15)16-17-18/h1-4H,5-8H2.
What are the key properties of thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate?
thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate has a molecular weight of 302.72 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 130185150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).