3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide

C10H17N3OS — CID 61436828

IUPAC3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)Cc1cccs1
InChIInChI=1S/C10H17N3OS/c1-2-13(6-5-10(11)12-14)8-9-4-3-7-15-9/h3-4,7,14H,2,5-6,8H2,1H3,(H2,11,12)
InChIKeyWDDDFQXSVOCQRO-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.71
Rot. Bonds6

About 3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide

3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 61436828) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide
PubChem CID61436828
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)Cc1cccs1
InChIInChI=1S/C10H17N3OS/c1-2-13(6-5-10(11)12-14)8-9-4-3-7-15-9/h3-4,7,14H,2,5-6,8H2,1H3,(H2,11,12)
InChIKeyWDDDFQXSVOCQRO-UHFFFAOYSA-N
XLogP1.71
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide 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

N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 77005818
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
4-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylbutanethioamide
CID 65249134
3-[ethyl(pyrimidin-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76954513
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369312
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 109374870
3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide
CID 107912397
N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079435
4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484257
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide
CID 63775676

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide (CID 61436828) is 3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)Cc1cccs1.
What is the InChIKey of 3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is WDDDFQXSVOCQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-13(6-5-10(11)12-14)8-9-4-3-7-15-9/h3-4,7,14H,2,5-6,8H2,1H3,(H2,11,12).
What are the key properties of 3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide?
3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 227.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 61436828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).