N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine

C12H13N3S — CID 143888705

IUPACN-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine
SMILESNCc1cc(-c2cccnc2)ccc1NS
InChIInChI=1S/C12H13N3S/c13-7-11-6-9(3-4-12(11)15-16)10-2-1-5-14-8-10/h1-6,8,15-16H,7,13H2
InChIKeyIUYQDFIVIYHNQW-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.46
Rot. Bonds3

About N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine

N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine (PubChem CID 143888705) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine
PubChem CID143888705
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine
SMILESNCc1cc(-c2cccnc2)ccc1NS
InChIInChI=1S/C12H13N3S/c13-7-11-6-9(3-4-12(11)15-16)10-2-1-5-14-8-10/h1-6,8,15-16H,7,13H2
InChIKeyIUYQDFIVIYHNQW-UHFFFAOYSA-N
XLogP2.46
TPSA50.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
CID 61026213
2,4-dipyridin-3-ylaniline
CID 46316358
2-(2-fluoro-5-pyridin-3-ylphenyl)acetic acid
CID 46315790
(2-pyridin-3-yl-3-pyridinyl)methanamine
CID 19005903
(2-methyl-5-pyridin-3-ylphenyl)methanol
CID 153475584
(2-methyl-5-pyridin-3-ylphenyl)hydrazine
CID 54381341
3-azulen-6-ylpyridine
CID 86232079
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one
CID 143688010
3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine
CID 46316472

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine?
The IUPAC name of N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine (CID 143888705) is N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine.
What is the SMILES notation for N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine?
The canonical SMILES for N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine is NCc1cc(-c2cccnc2)ccc1NS.
What is the InChIKey of N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine?
The InChIKey is IUYQDFIVIYHNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c13-7-11-6-9(3-4-12(11)15-16)10-2-1-5-14-8-10/h1-6,8,15-16H,7,13H2.
What are the key properties of N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine?
N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine has a molecular weight of 231.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine is sourced from PubChem (CID 143888705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).