N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine

C15H16N2O2S2 — CID 162650517

IUPACN-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(C(=NO)c2cc(SC)nc(SC)c2)cc1
InChIInChI=1S/C15H16N2O2S2/c1-19-12-6-4-10(5-7-12)15(17-18)11-8-13(20-2)16-14(9-11)21-3/h4-9,18H,1-3H3
InChIKeyNZQXCMRGEIXJTR-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.76
Rot. Bonds5

About N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine

N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 162650517) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine
PubChem CID162650517
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC NameN-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(C(=NO)c2cc(SC)nc(SC)c2)cc1
InChIInChI=1S/C15H16N2O2S2/c1-19-12-6-4-10(5-7-12)15(17-18)11-8-13(20-2)16-14(9-11)21-3/h4-9,18H,1-3H3
InChIKeyNZQXCMRGEIXJTR-UHFFFAOYSA-N
XLogP3.76
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
CID 4224986
4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
CID 135881447
2-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-4-methoxyphenol
CID 135881446
(NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine
CID 58928302
2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol
CID 4154047
(NZ)-N-[(4-methoxyphenyl)-(4-octoxyphenyl)methylidene]hydroxylamine
CID 6087643
(NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine
CID 10957418
(NE)-N-[isoquinolin-1-yl-(4-methoxyphenyl)methylidene]hydroxylamine
CID 135607961
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine
CID 88635833
1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
CID 134934706
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701

Frequently Asked Questions

What is the IUPAC name of N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine (CID 162650517) is N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine is COc1ccc(C(=NO)c2cc(SC)nc(SC)c2)cc1.
What is the InChIKey of N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is NZQXCMRGEIXJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-19-12-6-4-10(5-7-12)15(17-18)11-8-13(20-2)16-14(9-11)21-3/h4-9,18H,1-3H3.
What are the key properties of N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine?
N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 320.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 162650517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).