(NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine

C14H15NO2S — CID 43185543

IUPAC(NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccccc1OCc1cccs1
InChIInChI=1S/C14H15NO2S/c1-2-13(15-16)12-7-3-4-8-14(12)17-10-11-6-5-9-18-11/h3-9,16H,2,10H2,1H3/b15-13+
InChIKeyKECVOZJSZQBJQL-FYWRMAATSA-N
MW261.35 g/mol
LogP3.92
Rot. Bonds5

About (NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine

(NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine (PubChem CID 43185543) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine
PubChem CID43185543
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccccc1OCc1cccs1
InChIInChI=1S/C14H15NO2S/c1-2-13(15-16)12-7-3-4-8-14(12)17-10-11-6-5-9-18-11/h3-9,16H,2,10H2,1H3/b15-13+
InChIKeyKECVOZJSZQBJQL-FYWRMAATSA-N
XLogP3.92
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.92
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

(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 43504951
(NE)-N-[1-(2-prop-2-ynoxyphenyl)propylidene]hydroxylamine
CID 24695847
(NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine
CID 54935980
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
2-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 24710159
(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine
CID 43823257
3-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]propane-1,2-diol
CID 82849492
2-methyl-3-(thiophen-2-ylmethoxy)benzoic acid
CID 82826727
N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 77005612
1-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-3-phenylmethoxypropan-2-ol
CID 113235688
(NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 55023414
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine (CID 43185543) is (NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine is CC/C(=N\O)c1ccccc1OCc1cccs1.
What is the InChIKey of (NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine?
The InChIKey is KECVOZJSZQBJQL-FYWRMAATSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-13(15-16)12-7-3-4-8-14(12)17-10-11-6-5-9-18-11/h3-9,16H,2,10H2,1H3/b15-13+.
What are the key properties of (NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine?
(NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine has a molecular weight of 261.35 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-(thiophen-2-ylmethoxy)phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 43185543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).