O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine

C12H19NO3S — CID 117397124

IUPACO-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine
SMILESCOc1cc(SC(C)C)cc(OC)c1CON
InChIInChI=1S/C12H19NO3S/c1-8(2)17-9-5-11(14-3)10(7-16-13)12(6-9)15-4/h5-6,8H,7,13H2,1-4H3
InChIKeyCEHKWQBONXHFHY-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.59
Rot. Bonds6

About O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine

O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine (PubChem CID 117397124) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine
PubChem CID117397124
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameO-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine
SMILESCOc1cc(SC(C)C)cc(OC)c1CON
InChIInChI=1S/C12H19NO3S/c1-8(2)17-9-5-11(14-3)10(7-16-13)12(6-9)15-4/h5-6,8H,7,13H2,1-4H3
InChIKeyCEHKWQBONXHFHY-UHFFFAOYSA-N
XLogP2.59
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.59
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

1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine
CID 11300389
O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine
CID 117316718
O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine
CID 117286966
O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine
CID 117372417
1-(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117495385
O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine
CID 117288802
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
2-(3,4-dimethoxyphenyl)sulfanyl-3-methylbutan-1-amine
CID 117035475
2-ethoxy-4-propan-2-ylsulfanylaniline
CID 63678030
1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene
CID 116932253
2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol
CID 117301823
O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117366988

Frequently Asked Questions

What is the IUPAC name of O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine (CID 117397124) is O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine is COc1cc(SC(C)C)cc(OC)c1CON.
What is the InChIKey of O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine?
The InChIKey is CEHKWQBONXHFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-8(2)17-9-5-11(14-3)10(7-16-13)12(6-9)15-4/h5-6,8H,7,13H2,1-4H3.
What are the key properties of O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine?
O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine has a molecular weight of 257.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117397124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).