(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine

C14H15NO2S — CID 43504951

IUPAC(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cc(C)ccc1OCc1cccs1
InChIInChI=1S/C14H15NO2S/c1-10-5-6-14(13(8-10)11(2)15-16)17-9-12-4-3-7-18-12/h3-8,16H,9H2,1-2H3/b15-11+
InChIKeyPTGFGKWKFZULKI-RVDMUPIBSA-N
MW261.35 g/mol
LogP3.83
Rot. Bonds4

About (NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 43504951) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
PubChem CID43504951
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cc(C)ccc1OCc1cccs1
InChIInChI=1S/C14H15NO2S/c1-10-5-6-14(13(8-10)11(2)15-16)17-9-12-4-3-7-18-12/h3-8,16H,9H2,1-2H3/b15-11+
InChIKeyPTGFGKWKFZULKI-RVDMUPIBSA-N
XLogP3.83
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.83
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'}

Analyze (NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dimethylphenoxy)methyl]thiophene
CID 112725392
N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 77103658
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
(NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 43185543
(NZ)-N-[1-[2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 115982997
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid
CID 55220019
N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
CID 79227708
(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 114849667
(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 83157735
N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 76936776

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine (CID 43504951) is (NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1cc(C)ccc1OCc1cccs1.
What is the InChIKey of (NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is PTGFGKWKFZULKI-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-5-6-14(13(8-10)11(2)15-16)17-9-12-4-3-7-18-12/h3-8,16H,9H2,1-2H3/b15-11+.
What are the key properties of (NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 261.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 43504951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).