N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide

C10H17N3OS — CID 77031240

IUPACN'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide
SMILESNC(CCCCNCc1ccsc1)=NO
InChIInChI=1S/C10H17N3OS/c11-10(13-14)3-1-2-5-12-7-9-4-6-15-8-9/h4,6,8,12,14H,1-3,5,7H2,(H2,11,13)
InChIKeyZUZGSWVREUXYJW-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.75
Rot. Bonds7

About N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide

N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide (PubChem CID 77031240) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide
PubChem CID77031240
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide
SMILESNC(CCCCNCc1ccsc1)=NO
InChIInChI=1S/C10H17N3OS/c11-10(13-14)3-1-2-5-12-7-9-4-6-15-8-9/h4,6,8,12,14H,1-3,5,7H2,(H2,11,13)
InChIKeyZUZGSWVREUXYJW-UHFFFAOYSA-N
XLogP1.75
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.75
H-Bond Donors ≤ 53
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'}

Analyze N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide 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

5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77030098
5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 107320001
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
N-(thiophen-3-ylmethyl)-N',N'-bis[2-(thiophen-3-ylmethylamino)ethyl]ethane-1,2-diamine
CID 100933177
5-methoxy-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 103631875
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide
CID 54965704
N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide
CID 77030608
4,4-dimethyl-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 115642825
N'-hydroxy-4-[(3-methylphenyl)methylamino]butanimidamide
CID 77030080
N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 79278997
3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide
CID 61475450
N'-hydroxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanimidamide
CID 106435548

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide (CID 77031240) is N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide is NC(CCCCNCc1ccsc1)=NO.
What is the InChIKey of N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide?
The InChIKey is ZUZGSWVREUXYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c11-10(13-14)3-1-2-5-12-7-9-4-6-15-8-9/h4,6,8,12,14H,1-3,5,7H2,(H2,11,13).
What are the key properties of N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide?
N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide has a molecular weight of 227.33 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide is sourced from PubChem (CID 77031240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).