N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide

C11H22IN3OS — CID 75514153

IUPACN'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESC=CCCOCC/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C11H21N3OS.HI/c1-2-3-7-15-8-4-13-11(12)14-5-9-16-10-6-14;/h2H,1,3-10H2,(H2,12,13);1H
InChIKeyCWDXRTKZEZHWGY-UHFFFAOYSA-N
MW371.29 g/mol
LogP1.56
Rot. Bonds6

About N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide

N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 75514153) has the molecular formula C11H22IN3OS and a molecular weight of 371.29 g/mol. Its IUPAC name is N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID75514153
Molecular FormulaC11H22IN3OS
Molecular Weight371.29 g/mol
Exact Mass371.05
IUPAC NameN'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESC=CCCOCC/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C11H21N3OS.HI/c1-2-3-7-15-8-4-13-11(12)14-5-9-16-10-6-14;/h2H,1,3-10H2,(H2,12,13);1H
InChIKeyCWDXRTKZEZHWGY-UHFFFAOYSA-N
XLogP1.56
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111087619
N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111028465
N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111800807
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide
CID 111087620
N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111046624
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-[(1-prop-2-enylcyclopentyl)methyl]thiomorpholine-4-carboximidamide
CID 122097885
N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111024484
propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide
CID 111037125
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719
N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide
CID 111074015

Frequently Asked Questions

What is the IUPAC name of N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 75514153) is N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide is C=CCCOCC/N=C(\N)N1CCSCC1.I.
What is the InChIKey of N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is CWDXRTKZEZHWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS.HI/c1-2-3-7-15-8-4-13-11(12)14-5-9-16-10-6-14;/h2H,1,3-10H2,(H2,12,13);1H.
What are the key properties of N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide?
N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 371.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-but-3-enoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 75514153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).