N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide

C11H22IN3OS — CID 119146805

IUPACN'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1CCSCC1)N1CCOCC1
InChIInChI=1S/C11H21N3OS.HI/c12-11(14-3-5-15-6-4-14)13-9-10-1-7-16-8-2-10;/h10H,1-9H2,(H2,12,13);1H
InChIKeyQWZLDJQFWYYXQO-UHFFFAOYSA-N
MW371.29 g/mol
LogP1.39
Rot. Bonds2

About N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide

N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 119146805) has the molecular formula C11H22IN3OS and a molecular weight of 371.29 g/mol. Its IUPAC name is N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID119146805
Molecular FormulaC11H22IN3OS
Molecular Weight371.29 g/mol
Exact Mass371.05
IUPAC NameN'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1CCSCC1)N1CCOCC1
InChIInChI=1S/C11H21N3OS.HI/c12-11(14-3-5-15-6-4-14)13-9-10-1-7-16-8-2-10;/h10H,1-9H2,(H2,12,13);1H
InChIKeyQWZLDJQFWYYXQO-UHFFFAOYSA-N
XLogP1.39
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 51.39
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'-(oxolan-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 119118475
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119148504
N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111024484
N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111802041
N'-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111807627
N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide
CID 111816668
N'-[(2-cyclopropylcyclopentyl)methyl]morpholine-4-carboximidamide
CID 122098985
N'-[(1-morpholin-4-ylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120558136
N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120671818
N'-[(4-benzylthiomorpholin-3-yl)methyl]morpholine-4-carboximidamide
CID 120513753
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244

Frequently Asked Questions

What is the IUPAC name of N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide (CID 119146805) is N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC1CCSCC1)N1CCOCC1.
What is the InChIKey of N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is QWZLDJQFWYYXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS.HI/c12-11(14-3-5-15-6-4-14)13-9-10-1-7-16-8-2-10;/h10H,1-9H2,(H2,12,13);1H.
What are the key properties of N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide?
N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 371.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 119146805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).