N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

C13H27IN4S — CID 111803495

IUPACN'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN1CCCCC1C/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C13H26N4S.HI/c1-2-16-6-4-3-5-12(16)11-15-13(14)17-7-9-18-10-8-17;/h12H,2-11H2,1H3,(H2,14,15);1H
InChIKeyOFTNWBAHUSSNAQ-UHFFFAOYSA-N
MW398.36 g/mol
LogP1.84
Rot. Bonds3

About N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111803495) has the molecular formula C13H27IN4S and a molecular weight of 398.36 g/mol. Its IUPAC name is N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111803495
Molecular FormulaC13H27IN4S
Molecular Weight398.36 g/mol
Exact Mass398.10
IUPAC NameN'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN1CCCCC1C/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C13H26N4S.HI/c1-2-16-6-4-3-5-12(16)11-15-13(14)17-7-9-18-10-8-17;/h12H,2-11H2,1H3,(H2,14,15);1H
InChIKeyOFTNWBAHUSSNAQ-UHFFFAOYSA-N
XLogP1.84
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
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-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026588
N'-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807637
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803536
2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine
CID 59851432
N'-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111026582
2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111803509
N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119148504
N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111802041
1-cyclohexyl-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803516
N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide
CID 119147573
N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 122096518

Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111803495) is N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is CCN1CCCCC1C/N=C(\N)N1CCSCC1.I.
What is the InChIKey of N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is OFTNWBAHUSSNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S.HI/c1-2-16-6-4-3-5-12(16)11-15-13(14)17-7-9-18-10-8-17;/h12H,2-11H2,1H3,(H2,14,15);1H.
What are the key properties of N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 398.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111803495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).