S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine

C19H20N2OS — CID 143029851

IUPACS-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
SMILESNSc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C19H20N2OS/c20-23-15-7-5-14(6-8-15)17-13-19(9-11-21-12-10-19)22-18-4-2-1-3-16(17)18/h1-8,13,21H,9-12,20H2
InChIKeySVBIBJZYGIDYAD-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.60
Rot. Bonds2

About S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine

S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine (PubChem CID 143029851) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
PubChem CID143029851
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameS-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
SMILESNSc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C19H20N2OS/c20-23-15-7-5-14(6-8-15)17-13-19(9-11-21-12-10-19)22-18-4-2-1-3-16(17)18/h1-8,13,21H,9-12,20H2
InChIKeySVBIBJZYGIDYAD-UHFFFAOYSA-N
XLogP3.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

but-2-yne;ethane;(2S)-2-methylthiirane;S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
CID 143642554
4-spiro[chromene-2,4'-piperidine]-4-ylphenol
CID 25129433
N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143029921
(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine
CID 143642783
ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
CID 143304248
3-spiro[chromene-2,4'-piperidine]-4-ylbenzonitrile
CID 59674314
2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine
CID 11955546
2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide
CID 59674350
ethane;N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propane-2-sulfinamide
CID 143642659
N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143029810
4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine]
CID 59674547
1-spiro[chromene-2,4'-piperidine]-4-ylethenamine
CID 143543689

Frequently Asked Questions

What is the IUPAC name of S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine?
The IUPAC name of S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine (CID 143029851) is S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine.
What is the SMILES notation for S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine?
The canonical SMILES for S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine is NSc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1.
What is the InChIKey of S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine?
The InChIKey is SVBIBJZYGIDYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c20-23-15-7-5-14(6-8-15)17-13-19(9-11-21-12-10-19)22-18-4-2-1-3-16(17)18/h1-8,13,21H,9-12,20H2.
What are the key properties of S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine?
S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine has a molecular weight of 324.45 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine is sourced from PubChem (CID 143029851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).