N'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C12H24IN3OS — CID 111601173

IUPACN'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC2(O)CCSC2)CC1.I
InChIInChI=1S/C12H23N3OS.HI/c1-10-2-5-15(6-3-10)11(13)14-8-12(16)4-7-17-9-12;/h10,16H,2-9H2,1H3,(H2,13,14);1H
InChIKeyQLZKXHFTDOLWMR-UHFFFAOYSA-N
MW385.32 g/mol
LogP1.52
Rot. Bonds2

About N'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111601173) has the molecular formula C12H24IN3OS and a molecular weight of 385.32 g/mol. Its IUPAC name is N'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111601173
Molecular FormulaC12H24IN3OS
Molecular Weight385.32 g/mol
Exact Mass385.07
IUPAC NameN'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC2(O)CCSC2)CC1.I
InChIInChI=1S/C12H23N3OS.HI/c1-10-2-5-15(6-3-10)11(13)14-8-12(16)4-7-17-9-12;/h10,16H,2-9H2,1H3,(H2,13,14);1H
InChIKeyQLZKXHFTDOLWMR-UHFFFAOYSA-N
XLogP1.52
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111088654
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111435820
1-[[[amino-(4-methylpiperidin-1-yl)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111123564
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111800631
4-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887
2-[(3-hydroxythiolan-3-yl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111601187
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920495
N'-[(1-methylcyclobutyl)methyl]thiomorpholine-4-carboximidamide
CID 75512573
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851

Frequently Asked Questions

What is the IUPAC name of N'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 111601173) is N'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CC2(O)CCSC2)CC1.I.
What is the InChIKey of N'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is QLZKXHFTDOLWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS.HI/c1-10-2-5-15(6-3-10)11(13)14-8-12(16)4-7-17-9-12;/h10,16H,2-9H2,1H3,(H2,13,14);1H.
What are the key properties of N'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 385.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-hydroxythiolan-3-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111601173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).