O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine

C10H15NO2S — CID 117304504

IUPACO-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine
SMILESCOc1c(CCON)cccc1SC
InChIInChI=1S/C10H15NO2S/c1-12-10-8(6-7-13-11)4-3-5-9(10)14-2/h3-5H,6-7,11H2,1-2H3
InChIKeyPIXKBNRIWCGBFG-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.85
Rot. Bonds5

About O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine

O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine (PubChem CID 117304504) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine
PubChem CID117304504
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameO-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine
SMILESCOc1c(CCON)cccc1SC
InChIInChI=1S/C10H15NO2S/c1-12-10-8(6-7-13-11)4-3-5-9(10)14-2/h3-5H,6-7,11H2,1-2H3
InChIKeyPIXKBNRIWCGBFG-UHFFFAOYSA-N
XLogP1.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-3-methylsulfanylphenyl)ethanamine
CID 117287338
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine
CID 117302169
O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine
CID 117322409
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365223
O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355228
O-[2-(2-methoxy-3-phenylmethoxyphenyl)ethyl]hydroxylamine
CID 117435855
O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine
CID 117331169
1-chloro-2-methoxy-3-methylsulfanylbenzene
CID 91880715
1-bromo-2-methoxy-3-methylsulfanylbenzene
CID 91880733
O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117330362

Frequently Asked Questions

What is the IUPAC name of O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine (CID 117304504) is O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine is COc1c(CCON)cccc1SC.
What is the InChIKey of O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine?
The InChIKey is PIXKBNRIWCGBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-12-10-8(6-7-13-11)4-3-5-9(10)14-2/h3-5H,6-7,11H2,1-2H3.
What are the key properties of O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine?
O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine has a molecular weight of 213.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117304504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).