N-(naphthalen-1-ylmethyl)thiohydroxylamine

C11H11NS — CID 130243841

IUPACN-(naphthalen-1-ylmethyl)thiohydroxylamine
SMILESSNCc1cccc2ccccc12
InChIInChI=1S/C11H11NS/c13-12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12-13H,8H2
InChIKeyXMPLQCFUULJJCI-UHFFFAOYSA-N
MW189.28 g/mol
LogP2.77
Rot. Bonds2

About N-(naphthalen-1-ylmethyl)thiohydroxylamine

N-(naphthalen-1-ylmethyl)thiohydroxylamine (PubChem CID 130243841) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)thiohydroxylamine
PubChem CID130243841
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC NameN-(naphthalen-1-ylmethyl)thiohydroxylamine
SMILESSNCc1cccc2ccccc12
InChIInChI=1S/C11H11NS/c13-12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12-13H,8H2
InChIKeyXMPLQCFUULJJCI-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(naphthalen-1-ylmethyl)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

N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
naphthalen-1-ylmethylhydrazine;hydrochloride
CID 71656108
N-[(2,6-difluorophenyl)methyl]-1-naphthalen-1-ylmethanamine
CID 62047867
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine
CID 23656681
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
CID 66760372
CID 66760372
5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine
CID 112703157
1-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
CID 17289839
N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
CID 66986622

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)thiohydroxylamine?
The IUPAC name of N-(naphthalen-1-ylmethyl)thiohydroxylamine (CID 130243841) is N-(naphthalen-1-ylmethyl)thiohydroxylamine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)thiohydroxylamine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)thiohydroxylamine is SNCc1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylmethyl)thiohydroxylamine?
The InChIKey is XMPLQCFUULJJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c13-12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12-13H,8H2.
What are the key properties of N-(naphthalen-1-ylmethyl)thiohydroxylamine?
N-(naphthalen-1-ylmethyl)thiohydroxylamine has a molecular weight of 189.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)thiohydroxylamine is sourced from PubChem (CID 130243841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).