N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

C11H16ClIN4S — CID 111041968

IUPACN'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Cl)nc1)N1CCSCC1
InChIInChI=1S/C11H15ClN4S.HI/c12-10-2-1-9(7-14-10)8-15-11(13)16-3-5-17-6-4-16;/h1-2,7H,3-6,8H2,(H2,13,15);1H
InChIKeyFWEPLHGEEGKZER-UHFFFAOYSA-N
MW398.70 g/mol
LogP2.22
Rot. Bonds2

About N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111041968) has the molecular formula C11H16ClIN4S and a molecular weight of 398.70 g/mol. Its IUPAC name is N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111041968
Molecular FormulaC11H16ClIN4S
Molecular Weight398.70 g/mol
Exact Mass397.98
IUPAC NameN'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Cl)nc1)N1CCSCC1
InChIInChI=1S/C11H15ClN4S.HI/c12-10-2-1-9(7-14-10)8-15-11(13)16-3-5-17-6-4-16;/h1-2,7H,3-6,8H2,(H2,13,15);1H
InChIKeyFWEPLHGEEGKZER-UHFFFAOYSA-N
XLogP2.22
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.70
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111041968) is N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\Cc1ccc(Cl)nc1)N1CCSCC1.
What is the InChIKey of N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is FWEPLHGEEGKZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S.HI/c12-10-2-1-9(7-14-10)8-15-11(13)16-3-5-17-6-4-16;/h1-2,7H,3-6,8H2,(H2,13,15);1H.
What are the key properties of N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 398.70 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111041968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).