S-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine

C18H25N3O2S — CID 144977854

IUPACS-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine
SMILESCOc1ccc(OCC2CC2(C)C)cn1.NSNc1ccccc1
InChIInChI=1S/C12H17NO2.C6H8N2S/c1-12(2)6-9(12)8-15-10-4-5-11(14-3)13-7-10;7-9-8-6-4-2-1-3-5-6/h4-5,7,9H,6,8H2,1-3H3;1-5,8H,7H2
InChIKeyOQTKJTHUNRXPGM-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.14
Rot. Bonds6

About S-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine

S-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine (PubChem CID 144977854) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is S-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine.

Molecular Properties

Compound NameS-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine
PubChem CID144977854
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameS-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine
SMILESCOc1ccc(OCC2CC2(C)C)cn1.NSNc1ccccc1
InChIInChI=1S/C12H17NO2.C6H8N2S/c1-12(2)6-9(12)8-15-10-4-5-11(14-3)13-7-10;7-9-8-6-4-2-1-3-5-6/h4-5,7,9H,6,8H2,1-3H3;1-5,8H,7H2
InChIKeyOQTKJTHUNRXPGM-UHFFFAOYSA-N
XLogP4.14
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine
CID 144977855
benzyl (2S)-2-[(6-methoxy-3-pyridinyl)oxymethyl]azetidine-1-carboxylate;2-methoxy-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 70101463
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine
CID 79213880
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261261
1-[(6-methoxy-3-pyridinyl)methyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825472
(6-methoxy-3-pyridinyl)hydrazine;hydrochloride
CID 23090203
N-[[aminomethoxy(dimethoxy)silyl]methyl]aniline
CID 175419637
N-(3,3-dimethylpiperidin-4-yl)-6-methoxypyridin-3-amine
CID 114235295
2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine
CID 90428129
1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433896

Frequently Asked Questions

What is the IUPAC name of S-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine?
The IUPAC name of S-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine (CID 144977854) is S-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine.
What is the SMILES notation for S-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine?
The canonical SMILES for S-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine is COc1ccc(OCC2CC2(C)C)cn1.NSNc1ccccc1.
What is the InChIKey of S-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine?
The InChIKey is OQTKJTHUNRXPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C6H8N2S/c1-12(2)6-9(12)8-15-10-4-5-11(14-3)13-7-10;7-9-8-6-4-2-1-3-5-6/h4-5,7,9H,6,8H2,1-3H3;1-5,8H,7H2.
What are the key properties of S-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine?
S-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine has a molecular weight of 347.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-anilinothiohydroxylamine;5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine is sourced from PubChem (CID 144977854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).