(thiophen-2-ylmethylideneamino) acetate

C7H7NO2S — CID 90903453

IUPAC(thiophen-2-ylmethylideneamino) acetate
SMILESCC(=O)ON=Cc1cccs1
InChIInChI=1S/C7H7NO2S/c1-6(9)10-8-5-7-3-2-4-11-7/h2-5H,1H3
InChIKeyZXVQEOVBLODQFF-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.65
Rot. Bonds2

About (thiophen-2-ylmethylideneamino) acetate

(thiophen-2-ylmethylideneamino) acetate (PubChem CID 90903453) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is (thiophen-2-ylmethylideneamino) acetate.

Molecular Properties

Compound Name(thiophen-2-ylmethylideneamino) acetate
PubChem CID90903453
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Name(thiophen-2-ylmethylideneamino) acetate
SMILESCC(=O)ON=Cc1cccs1
InChIInChI=1S/C7H7NO2S/c1-6(9)10-8-5-7-3-2-4-11-7/h2-5H,1H3
InChIKeyZXVQEOVBLODQFF-UHFFFAOYSA-N
XLogP1.65
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
CID 78767027
(E)-N-ethoxy-1-thiophen-2-ylmethanimine
CID 11344134
(thiophen-2-ylmethylideneamino) 2-[(1S,3S)-3-acetyl-2,2-dimethylcyclobutyl]acetate
CID 175794552
(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine
CID 5371572
N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
CID 75265020
[(E)-3-thiophen-2-ylprop-2-enyl] acetate
CID 11298325
[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
CID 165348151
tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate
CID 5399730
1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
CID 75981058
1-(4-methylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
CID 75981057
thiophen-2-yl acetate
CID 23617313
3-methyl-2-(thiophen-2-ylmethylideneamino)butanoic acid
CID 102073340

Frequently Asked Questions

What is the IUPAC name of (thiophen-2-ylmethylideneamino) acetate?
The IUPAC name of (thiophen-2-ylmethylideneamino) acetate (CID 90903453) is (thiophen-2-ylmethylideneamino) acetate.
What is the SMILES notation for (thiophen-2-ylmethylideneamino) acetate?
The canonical SMILES for (thiophen-2-ylmethylideneamino) acetate is CC(=O)ON=Cc1cccs1.
What is the InChIKey of (thiophen-2-ylmethylideneamino) acetate?
The InChIKey is ZXVQEOVBLODQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-6(9)10-8-5-7-3-2-4-11-7/h2-5H,1H3.
What are the key properties of (thiophen-2-ylmethylideneamino) acetate?
(thiophen-2-ylmethylideneamino) acetate has a molecular weight of 169.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (thiophen-2-ylmethylideneamino) acetate is sourced from PubChem (CID 90903453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).