2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide

C11H24IN3S — CID 109484695

IUPAC2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCCN/C(=N\C)N1CCSC(CC)C1.I
InChIInChI=1S/C11H23N3S.HI/c1-4-6-13-11(12-3)14-7-8-15-10(5-2)9-14;/h10H,4-9H2,1-3H3,(H,12,13);1H
InChIKeyOUMFONJHUBHGIK-UHFFFAOYSA-N
MW357.31 g/mol
LogP2.42
Rot. Bonds3

About 2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide

2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109484695) has the molecular formula C11H24IN3S and a molecular weight of 357.31 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109484695
Molecular FormulaC11H24IN3S
Molecular Weight357.31 g/mol
Exact Mass357.07
IUPAC Name2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCCN/C(=N\C)N1CCSC(CC)C1.I
InChIInChI=1S/C11H23N3S.HI/c1-4-6-13-11(12-3)14-7-8-15-10(5-2)9-14;/h10H,4-9H2,1-3H3,(H,12,13);1H
InChIKeyOUMFONJHUBHGIK-UHFFFAOYSA-N
XLogP2.42
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide
CID 109485155
2-ethyl-N-(3-fluoropropyl)-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487037
2-ethyl-N-[2-[ethyl(propyl)amino]ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485723
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109484755
2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide
CID 109486222
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide
CID 109484756
2-ethyl-N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486575
2-ethyl-N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486969
tert-butyl N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 109486935
2-ethyl-N-[3-(2-methoxyethoxy)propyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485939
2-ethyl-N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487101
2-ethyl-N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109486970

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide (CID 109484695) is 2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide is CCCN/C(=N\C)N1CCSC(CC)C1.I.
What is the InChIKey of 2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is OUMFONJHUBHGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S.HI/c1-4-6-13-11(12-3)14-7-8-15-10(5-2)9-14;/h10H,4-9H2,1-3H3,(H,12,13);1H.
What are the key properties of 2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide?
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 357.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109484695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).