S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine

C9H13N3S — CID 142831469

IUPACS-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine
SMILESCCc1ccc(/C(N)=C/SN)nc1
InChIInChI=1S/C9H13N3S/c1-2-7-3-4-9(12-5-7)8(10)6-13-11/h3-6H,2,10-11H2,1H3/b8-6-
InChIKeyPLASHRIEEQVOJD-VURMDHGXSA-N
MW195.29 g/mol
LogP1.51
Rot. Bonds3

About S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine

S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine (PubChem CID 142831469) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine
PubChem CID142831469
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC NameS-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine
SMILESCCc1ccc(/C(N)=C/SN)nc1
InChIInChI=1S/C9H13N3S/c1-2-7-3-4-9(12-5-7)8(10)6-13-11/h3-6H,2,10-11H2,1H3/b8-6-
InChIKeyPLASHRIEEQVOJD-VURMDHGXSA-N
XLogP1.51
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]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

lithium 5-ethylpyridine-2-carboxylate
CID 58074033
ethyl 2-(5-ethyl-2-pyridinyl)-2-oxoacetate
CID 58909984
5-ethyl-2-[(3E)-hexa-1,3,5-trien-3-yl]pyridine
CID 177047395
(5-amino-2-pyridinyl)-(4-ethylphenyl)methanone
CID 116605339
5-ethyl-N-methoxy-N-methylpyridine-2-carboxamide
CID 23143535
N-(2-aminophenyl)-5-ethylpyridine-2-carboxamide
CID 145488615
(Z)-1-(5-methyl-2-pyridinyl)prop-1-en-1-amine
CID 174335026
N-cyclopropyl-5-ethylpyridine-2-carboxamide;ethane
CID 166088952
(Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine
CID 129093045
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide
CID 171980836
1-(5-ethyl-2-pyridinyl)-1-[(Z)-prop-1-enyl]hydrazine
CID 143067752

Frequently Asked Questions

What is the IUPAC name of S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine?
The IUPAC name of S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine (CID 142831469) is S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine.
What is the SMILES notation for S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine?
The canonical SMILES for S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine is CCc1ccc(/C(N)=C/SN)nc1.
What is the InChIKey of S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine?
The InChIKey is PLASHRIEEQVOJD-VURMDHGXSA-N. The full InChI is InChI=1S/C9H13N3S/c1-2-7-3-4-9(12-5-7)8(10)6-13-11/h3-6H,2,10-11H2,1H3/b8-6-.
What are the key properties of S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine?
S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine has a molecular weight of 195.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine is sourced from PubChem (CID 142831469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).