N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide

C9H14N2O2S — CID 109374870

IUPACN'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide
SMILESN/C(CCOCCc1cccs1)=N/O
InChIInChI=1S/C9H14N2O2S/c10-9(11-12)4-6-13-5-3-8-2-1-7-14-8/h1-2,7,12H,3-6H2,(H2,10,11)
InChIKeyVDPOASXZGPNLOT-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.44
Rot. Bonds6

About N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide

N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide (PubChem CID 109374870) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide
PubChem CID109374870
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide
SMILESN/C(CCOCCc1cccs1)=N/O
InChIInChI=1S/C9H14N2O2S/c10-9(11-12)4-6-13-5-3-8-2-1-7-14-8/h1-2,7,12H,3-6H2,(H2,10,11)
InChIKeyVDPOASXZGPNLOT-UHFFFAOYSA-N
XLogP1.44
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
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': 'imine_2', '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'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide
CID 76905925
N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 77005818
3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 61436828
N-(4-amino-4-hydroxyiminobutyl)-4-thiophen-2-ylbutanamide
CID 76953161
2-[2-[2-(4-bromophenoxy)ethoxy]ethyl]thiophene
CID 54970997
3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine
CID 64571440
4-bromo-N'-hydroxy-2-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 114904301
2-(2-thiophen-2-ylethoxy)acetohydrazide
CID 63571119
2-thiophen-2-ylethoxysilane
CID 154346669
N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 76975002
2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 114995344
N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62485827

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide?
The IUPAC name of N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide (CID 109374870) is N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide is N/C(CCOCCc1cccs1)=N/O.
What is the InChIKey of N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide?
The InChIKey is VDPOASXZGPNLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c10-9(11-12)4-6-13-5-3-8-2-1-7-14-8/h1-2,7,12H,3-6H2,(H2,10,11).
What are the key properties of N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide?
N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide has a molecular weight of 214.29 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide is sourced from PubChem (CID 109374870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).