benzenesulfinamide;1-(4-propylphenyl)piperazine

C19H27N3OS — CID 70504489

IUPACbenzenesulfinamide;1-(4-propylphenyl)piperazine
SMILESCCCc1ccc(N2CCNCC2)cc1.NS(=O)c1ccccc1
InChIInChI=1S/C13H20N2.C6H7NOS/c1-2-3-12-4-6-13(7-5-12)15-10-8-14-9-11-15;7-9(8)6-4-2-1-3-5-6/h4-7,14H,2-3,8-11H2,1H3;1-5H,7H2
InChIKeyRUDCGPJSZWNKPC-UHFFFAOYSA-N
MW345.51 g/mol
LogP2.72
Rot. Bonds4

About benzenesulfinamide;1-(4-propylphenyl)piperazine

benzenesulfinamide;1-(4-propylphenyl)piperazine (PubChem CID 70504489) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is benzenesulfinamide;1-(4-propylphenyl)piperazine.

Molecular Properties

Compound Namebenzenesulfinamide;1-(4-propylphenyl)piperazine
PubChem CID70504489
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Namebenzenesulfinamide;1-(4-propylphenyl)piperazine
SMILESCCCc1ccc(N2CCNCC2)cc1.NS(=O)c1ccccc1
InChIInChI=1S/C13H20N2.C6H7NOS/c1-2-3-12-4-6-13(7-5-12)15-10-8-14-9-11-15;7-9(8)6-4-2-1-3-5-6/h4-7,14H,2-3,8-11H2,1H3;1-5H,7H2
InChIKeyRUDCGPJSZWNKPC-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzenesulfinamide;1-(4-propylphenyl)piperazine?
The IUPAC name of benzenesulfinamide;1-(4-propylphenyl)piperazine (CID 70504489) is benzenesulfinamide;1-(4-propylphenyl)piperazine.
What is the SMILES notation for benzenesulfinamide;1-(4-propylphenyl)piperazine?
The canonical SMILES for benzenesulfinamide;1-(4-propylphenyl)piperazine is CCCc1ccc(N2CCNCC2)cc1.NS(=O)c1ccccc1.
What is the InChIKey of benzenesulfinamide;1-(4-propylphenyl)piperazine?
The InChIKey is RUDCGPJSZWNKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C6H7NOS/c1-2-3-12-4-6-13(7-5-12)15-10-8-14-9-11-15;7-9(8)6-4-2-1-3-5-6/h4-7,14H,2-3,8-11H2,1H3;1-5H,7H2.
What are the key properties of benzenesulfinamide;1-(4-propylphenyl)piperazine?
benzenesulfinamide;1-(4-propylphenyl)piperazine has a molecular weight of 345.51 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfinamide;1-(4-propylphenyl)piperazine is sourced from PubChem (CID 70504489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).