N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine

C17H19NO2S — CID 79227708

IUPACN-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C)ccc1OCCSc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-13-8-9-17(16(12-13)14(2)18-19)20-10-11-21-15-6-4-3-5-7-15/h3-9,12,19H,10-11H2,1-2H3
InChIKeyCYGZKMZCPYJFOM-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.36
Rot. Bonds6

About N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine

N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 79227708) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
PubChem CID79227708
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C)ccc1OCCSc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-13-8-9-17(16(12-13)14(2)18-19)20-10-11-21-15-6-4-3-5-7-15/h3-9,12,19H,10-11H2,1-2H3
InChIKeyCYGZKMZCPYJFOM-UHFFFAOYSA-N
XLogP4.36
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
CID 79221819
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 83157735
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 54878942
N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine
CID 77055461
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
2-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethanamine
CID 79227935
(NE)-N-[1-[5-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725527
N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 76991199
1-[5-amino-2-(2-phenylsulfanylethoxy)phenyl]ethanone
CID 116540903
(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 43504951

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine (CID 79227708) is N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine is CC(=NO)c1cc(C)ccc1OCCSc1ccccc1.
What is the InChIKey of N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is CYGZKMZCPYJFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-8-9-17(16(12-13)14(2)18-19)20-10-11-21-15-6-4-3-5-7-15/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine?
N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 301.41 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 79227708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).