N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine

C15H17NO2S — CID 77005612

IUPACN-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine
SMILESCCC(=NO)c1ccc(OCCc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-15(16-17)12-5-7-13(8-6-12)18-10-9-14-4-3-11-19-14/h3-8,11,17H,2,9-10H2,1H3
InChIKeyZAJKJGNPMWIJMI-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.96
Rot. Bonds6

About N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine

N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine (PubChem CID 77005612) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine
PubChem CID77005612
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine
SMILESCCC(=NO)c1ccc(OCCc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-15(16-17)12-5-7-13(8-6-12)18-10-9-14-4-3-11-19-14/h3-8,11,17H,2,9-10H2,1H3
InChIKeyZAJKJGNPMWIJMI-UHFFFAOYSA-N
XLogP3.96
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

(NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine
CID 115495566
N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide
CID 76905925
(NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine
CID 112589710
2-[2-(4-iodophenoxy)ethyl]thiophene
CID 63775309
(NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine
CID 115514140
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
CID 106748443
1-[4-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-3-methoxypropan-2-ol
CID 77013431
(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 24698943
N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
CID 63774718
(NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 43185543
N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide
CID 20763518

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine?
The IUPAC name of N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine (CID 77005612) is N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine.
What is the SMILES notation for N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine?
The canonical SMILES for N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine is CCC(=NO)c1ccc(OCCc2cccs2)cc1.
What is the InChIKey of N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine?
The InChIKey is ZAJKJGNPMWIJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-15(16-17)12-5-7-13(8-6-12)18-10-9-14-4-3-11-19-14/h3-8,11,17H,2,9-10H2,1H3.
What are the key properties of N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine?
N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine has a molecular weight of 275.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 77005612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).