N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide

C12H21N3O2S — CID 77005818

IUPACN'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)CCc1cccs1
InChIInChI=1S/C12H21N3O2S/c1-17-9-8-15(7-5-12(13)14-16)6-4-11-3-2-10-18-11/h2-3,10,16H,4-9H2,1H3,(H2,13,14)
InChIKeyJLOXBUXMAFTSBN-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.38
Rot. Bonds9

About N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide (PubChem CID 77005818) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide
PubChem CID77005818
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)CCc1cccs1
InChIInChI=1S/C12H21N3O2S/c1-17-9-8-15(7-5-12(13)14-16)6-4-11-3-2-10-18-11/h2-3,10,16H,4-9H2,1H3,(H2,13,14)
InChIKeyJLOXBUXMAFTSBN-UHFFFAOYSA-N
XLogP1.38
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 61436828
N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 109374870
N'-hydroxy-3-[2-methoxyethyl(2-phenylsulfanylethyl)amino]propanimidamide
CID 79222130
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide
CID 76993993
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide
CID 104863502
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162
N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide
CID 24710523
N-benzyl-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 47013131
N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide
CID 106725354
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 80640935
3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
CID 46995993
N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide
CID 63181895

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide (CID 77005818) is N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide is COCCN(CCC(N)=NO)CCc1cccs1.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide?
The InChIKey is JLOXBUXMAFTSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-17-9-8-15(7-5-12(13)14-16)6-4-11-3-2-10-18-11/h2-3,10,16H,4-9H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide has a molecular weight of 271.39 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide is sourced from PubChem (CID 77005818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).