N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

C10H15ClIN3S2 — CID 119119247

IUPACN'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Cl)s1)N1CCSCC1
InChIInChI=1S/C10H14ClN3S2.HI/c11-9-2-1-8(16-9)7-13-10(12)14-3-5-15-6-4-14;/h1-2H,3-7H2,(H2,12,13);1H
InChIKeyMDOZDPGHRWNVDY-UHFFFAOYSA-N
MW403.74 g/mol
LogP2.88
Rot. Bonds2

About N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 119119247) has the molecular formula C10H15ClIN3S2 and a molecular weight of 403.74 g/mol. Its IUPAC name is N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID119119247
Molecular FormulaC10H15ClIN3S2
Molecular Weight403.74 g/mol
Exact Mass402.94
IUPAC NameN'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Cl)s1)N1CCSCC1
InChIInChI=1S/C10H14ClN3S2.HI/c11-9-2-1-8(16-9)7-13-10(12)14-3-5-15-6-4-14;/h1-2H,3-7H2,(H2,12,13);1H
InChIKeyMDOZDPGHRWNVDY-UHFFFAOYSA-N
XLogP2.88
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.74
LogP ≤ 52.88
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'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide
CID 111078321
N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041968
N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111046068
N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111063137
N'-[(2-ethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111817688
N'-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119117665
N'-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111047033
N'-[(4-chloro-2-methoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111806792
N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111062706
N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111031033
N'-[(4-methylsulfanylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 119120285
N'-(1-benzofuran-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 111071397

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 119119247) is N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\Cc1ccc(Cl)s1)N1CCSCC1.
What is the InChIKey of N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is MDOZDPGHRWNVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S2.HI/c11-9-2-1-8(16-9)7-13-10(12)14-3-5-15-6-4-14;/h1-2H,3-7H2,(H2,12,13);1H.
What are the key properties of N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 403.74 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chlorothiophen-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 119119247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).