N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide

C15H23ClN4OS — CID 109485360

IUPACN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCCOc2ncccc2Cl)CCS1
InChIInChI=1S/C15H23ClN4OS/c1-3-12-11-20(8-10-22-12)15(17-2)19-7-9-21-14-13(16)5-4-6-18-14/h4-6,12H,3,7-11H2,1-2H3,(H,17,19)
InChIKeyPOGNMJIHUMYRKB-UHFFFAOYSA-N
MW342.90 g/mol
LogP2.52
Rot. Bonds5

About N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide

N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide (PubChem CID 109485360) has the molecular formula C15H23ClN4OS and a molecular weight of 342.90 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
PubChem CID109485360
Molecular FormulaC15H23ClN4OS
Molecular Weight342.90 g/mol
Exact Mass342.13
IUPAC NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCCOc2ncccc2Cl)CCS1
InChIInChI=1S/C15H23ClN4OS/c1-3-12-11-20(8-10-22-12)15(17-2)19-7-9-21-14-13(16)5-4-6-18-14/h4-6,12H,3,7-11H2,1-2H3,(H,17,19)
InChIKeyPOGNMJIHUMYRKB-UHFFFAOYSA-N
XLogP2.52
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.90
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide?
The IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide (CID 109485360) is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide is CCC1CN(/C(=N/C)NCCOc2ncccc2Cl)CCS1.
What is the InChIKey of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide?
The InChIKey is POGNMJIHUMYRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4OS/c1-3-12-11-20(8-10-22-12)15(17-2)19-7-9-21-14-13(16)5-4-6-18-14/h4-6,12H,3,7-11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide?
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide has a molecular weight of 342.90 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109485360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).