N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C12H20IN3S — CID 111046068

IUPACN'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1ccc(C/N=C(\N)N2CCCCC2)s1.I
InChIInChI=1S/C12H19N3S.HI/c1-10-5-6-11(16-10)9-14-12(13)15-7-3-2-4-8-15;/h5-6H,2-4,7-9H2,1H3,(H2,13,14);1H
InChIKeyGYTYJUQXIGPBCS-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.98
Rot. Bonds2

About N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide

N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111046068) has the molecular formula C12H20IN3S and a molecular weight of 365.28 g/mol. Its IUPAC name is N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111046068
Molecular FormulaC12H20IN3S
Molecular Weight365.28 g/mol
Exact Mass365.04
IUPAC NameN'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1ccc(C/N=C(\N)N2CCCCC2)s1.I
InChIInChI=1S/C12H19N3S.HI/c1-10-5-6-11(16-10)9-14-12(13)15-7-3-2-4-8-15;/h5-6H,2-4,7-9H2,1H3,(H2,13,14);1H
InChIKeyGYTYJUQXIGPBCS-UHFFFAOYSA-N
XLogP2.98
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide 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'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111031033
N'-[(5-methylthiophen-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119118304
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide
CID 63176240
N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide
CID 111822147
4-methyl-N'-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110920625
N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119119247
N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide
CID 111068778
N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111065039
N'-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboximidamide
CID 111814282
N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111053986
N'-[(2,6-dimethylpyrimidin-4-yl)methyl]azepane-1-carboximidamide;hydroiodide
CID 120913679

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111046068) is N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide is Cc1ccc(C/N=C(\N)N2CCCCC2)s1.I.
What is the InChIKey of N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is GYTYJUQXIGPBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S.HI/c1-10-5-6-11(16-10)9-14-12(13)15-7-3-2-4-8-15;/h5-6H,2-4,7-9H2,1H3,(H2,13,14);1H.
What are the key properties of N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 365.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111046068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).