S-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine

C16H19N3S — CID 21446127

IUPACS-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine
SMILESNSc1ccccc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H19N3S/c17-20-16-9-5-4-8-15(16)19-12-10-18(11-13-19)14-6-2-1-3-7-14/h1-9H,10-13,17H2
InChIKeyPZNIWOQXQJYORF-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.98
Rot. Bonds3

About S-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine

S-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine (PubChem CID 21446127) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is S-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine
PubChem CID21446127
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameS-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine
SMILESNSc1ccccc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H19N3S/c17-20-16-9-5-4-8-15(16)19-12-10-18(11-13-19)14-6-2-1-3-7-14/h1-9H,10-13,17H2
InChIKeyPZNIWOQXQJYORF-UHFFFAOYSA-N
XLogP2.98
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]thiohydroxylamine
CID 21446131
1-fluoro-4-phenylpiperazine
CID 23450926
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772
1-(2-methylsulfanylphenyl)pyrrolidine
CID 67751478
1-phenanthren-9-yl-4-phenylpiperazine
CID 101487522
1-phenyl-4-(1-phenylpiperidin-4-ylidene)piperidine
CID 15946547
1-(4-phenylphenyl)aziridine
CID 152682568
2-chloro-6-(4-phenylpiperazin-1-yl)benzonitrile
CID 60673959
4-fluoro-3-(4-phenylpiperazin-1-yl)benzoic acid
CID 82537634
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
3-fluoro-4-(4-phenylpiperazin-1-yl)benzoic acid
CID 43826185
2-bromo-6-(4-phenylpiperazin-1-yl)benzonitrile
CID 114880480

Frequently Asked Questions

What is the IUPAC name of S-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine?
The IUPAC name of S-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine (CID 21446127) is S-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine.
What is the SMILES notation for S-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine?
The canonical SMILES for S-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine is NSc1ccccc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of S-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine?
The InChIKey is PZNIWOQXQJYORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c17-20-16-9-5-4-8-15(16)19-12-10-18(11-13-19)14-6-2-1-3-7-14/h1-9H,10-13,17H2.
What are the key properties of S-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine?
S-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine has a molecular weight of 285.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-(4-phenylpiperazin-1-yl)phenyl]thiohydroxylamine is sourced from PubChem (CID 21446127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).