O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine

C10H15NO3S — CID 117330895

IUPACO-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine
SMILESCOc1ccc(CON)c(OC)c1SC
InChIInChI=1S/C10H15NO3S/c1-12-8-5-4-7(6-14-11)9(13-2)10(8)15-3/h4-5H,6,11H2,1-3H3
InChIKeyWQPNZBPFSOQUEP-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.82
Rot. Bonds5

About O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine

O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine (PubChem CID 117330895) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine
PubChem CID117330895
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameO-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine
SMILESCOc1ccc(CON)c(OC)c1SC
InChIInChI=1S/C10H15NO3S/c1-12-8-5-4-7(6-14-11)9(13-2)10(8)15-3/h4-5H,6,11H2,1-3H3
InChIKeyWQPNZBPFSOQUEP-UHFFFAOYSA-N
XLogP1.82
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
CID 69397657
1-(2,4-dimethoxy-3-methylsulfanylphenyl)propan-2-amine
CID 69397655
O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine
CID 117310273
O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117326901
O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine
CID 117288802
O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine
CID 117378161
3-(3,4-dimethoxy-2-methylsulfanylphenyl)propanal
CID 117353644
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117451909
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
CID 117422294
2,4-dimethoxy-3-methylsulfanylbenzonitrile
CID 117298729
1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene
CID 146288940
3-(aminooxymethyl)-6-chloro-2-methoxyphenol
CID 117292180

Frequently Asked Questions

What is the IUPAC name of O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine (CID 117330895) is O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine is COc1ccc(CON)c(OC)c1SC.
What is the InChIKey of O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine?
The InChIKey is WQPNZBPFSOQUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-12-8-5-4-7(6-14-11)9(13-2)10(8)15-3/h4-5H,6,11H2,1-3H3.
What are the key properties of O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine?
O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine has a molecular weight of 229.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117330895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).