N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine

C10H15NO2S — CID 84782925

IUPACN-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1ccc(CN(C)O)c(SC)c1
InChIInChI=1S/C10H15NO2S/c1-11(12)7-8-4-5-9(13-2)6-10(8)14-3/h4-6,12H,7H2,1-3H3
InChIKeyULTFADAYWZEJKC-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.24
Rot. Bonds4

About N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine

N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine (PubChem CID 84782925) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine
PubChem CID84782925
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1ccc(CN(C)O)c(SC)c1
InChIInChI=1S/C10H15NO2S/c1-11(12)7-8-4-5-9(13-2)6-10(8)14-3/h4-6,12H,7H2,1-3H3
InChIKeyULTFADAYWZEJKC-UHFFFAOYSA-N
XLogP2.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.24
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

4-methoxy-1-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzene
CID 19370417
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
2-(4-methoxy-2-methylsulfanylphenyl)ethanesulfonyl chloride
CID 84811999
2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol
CID 84782931
5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978581
N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84777076
N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide
CID 170746251
2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenol
CID 14295123
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 112790479
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(3-methylsulfanylpropyl)thiourea
CID 7944903
1-[[4-methoxy-2-(trifluoromethylsulfanyl)phenyl]methyl]-1-methylguanidine
CID 121451079

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine (CID 84782925) is N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine is COc1ccc(CN(C)O)c(SC)c1.
What is the InChIKey of N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine?
The InChIKey is ULTFADAYWZEJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-11(12)7-8-4-5-9(13-2)6-10(8)14-3/h4-6,12H,7H2,1-3H3.
What are the key properties of N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine?
N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine has a molecular weight of 213.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 84782925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).