O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine

C10H15NO2S — CID 117304512

IUPACO-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
SMILESCOc1ccc(SC)cc1CCON
InChIInChI=1S/C10H15NO2S/c1-12-10-4-3-9(14-2)7-8(10)5-6-13-11/h3-4,7H,5-6,11H2,1-2H3
InChIKeyFDBIRHBCTCCLFP-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.85
Rot. Bonds5

About O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine

O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine (PubChem CID 117304512) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
PubChem CID117304512
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameO-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
SMILESCOc1ccc(SC)cc1CCON
InChIInChI=1S/C10H15NO2S/c1-12-10-4-3-9(14-2)7-8(10)5-6-13-11/h3-4,7H,5-6,11H2,1-2H3
InChIKeyFDBIRHBCTCCLFP-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

O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine
CID 117288802
O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine
CID 117331169
2-(bromomethyl)-1-methoxy-4-methylsulfanylbenzene
CID 142016625
O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476
O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine
CID 95441631
O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine
CID 117448513
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455
2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine
CID 117302166
ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate
CID 91881373
1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene
CID 91656797
2-methoxy-4-methylsulfanylphenol
CID 11423824
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924

Frequently Asked Questions

What is the IUPAC name of O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine (CID 117304512) is O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine is COc1ccc(SC)cc1CCON.
What is the InChIKey of O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine?
The InChIKey is FDBIRHBCTCCLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-12-10-4-3-9(14-2)7-8(10)5-6-13-11/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine?
O-[2-(2-methoxy-5-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-5-methylsulfanylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117304512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).