N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide

C11H19N3OS — CID 43528245

IUPACN'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)Cc1ccsc1
InChIInChI=1S/C11H19N3OS/c1-3-10(6-11(12)13-15)14(2)7-9-4-5-16-8-9/h4-5,8,10,15H,3,6-7H2,1-2H3,(H2,12,13)
InChIKeyVUPZEZFZZKJDKV-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.10
Rot. Bonds6

About N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide

N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide (PubChem CID 43528245) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide
PubChem CID43528245
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)Cc1ccsc1
InChIInChI=1S/C11H19N3OS/c1-3-10(6-11(12)13-15)14(2)7-9-4-5-16-8-9/h4-5,8,10,15H,3,6-7H2,1-2H3,(H2,12,13)
InChIKeyVUPZEZFZZKJDKV-UHFFFAOYSA-N
XLogP2.10
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.10
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'}

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Related Compounds

3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide
CID 61442424
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine
CID 62949476
N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide
CID 43295869
3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 43175067
1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine
CID 62362772
4,4-dimethoxy-2-N-methyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 66269559
2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 60811268
N'-hydroxy-3-[methyl-[(3-methylphenyl)methyl]amino]butanimidamide
CID 61413856
3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 103225664
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 76987745
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide (CID 43528245) is N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide is CCC(C/C(N)=N/O)N(C)Cc1ccsc1.
What is the InChIKey of N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide?
The InChIKey is VUPZEZFZZKJDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-10(6-11(12)13-15)14(2)7-9-4-5-16-8-9/h4-5,8,10,15H,3,6-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide?
N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide has a molecular weight of 241.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide is sourced from PubChem (CID 43528245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).