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

C16H17NO2S — CID 79221819

IUPACN-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccccc1OCCSc1ccccc1
InChIInChI=1S/C16H17NO2S/c1-13(17-18)15-9-5-6-10-16(15)19-11-12-20-14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3
InChIKeyDEIGBPFPAJAWOL-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.06
Rot. Bonds6

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

N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 79221819) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
PubChem CID79221819
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccccc1OCCSc1ccccc1
InChIInChI=1S/C16H17NO2S/c1-13(17-18)15-9-5-6-10-16(15)19-11-12-20-14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3
InChIKeyDEIGBPFPAJAWOL-UHFFFAOYSA-N
XLogP4.06
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.06
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-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
CID 79227708
(NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine
CID 43129538
N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine
CID 76999545
(NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine
CID 60922167
(NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 109374404
1-[2-[2-(4-bromophenyl)sulfanylethoxy]phenyl]ethanone
CID 43412618
1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol
CID 60885810
(NZ)-N-[1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethylidene]hydroxylamine
CID 109374436
N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 115597531
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]acetamide
CID 24699457
1-[5-amino-2-(2-phenylsulfanylethoxy)phenyl]ethanone
CID 116540903
1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one
CID 82897410

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine (CID 79221819) is N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine is CC(=NO)c1ccccc1OCCSc1ccccc1.
What is the InChIKey of N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is DEIGBPFPAJAWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-13(17-18)15-9-5-6-10-16(15)19-11-12-20-14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3.
What are the key properties of N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine?
N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 287.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 79221819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).