N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide

C8H15F3IN3S — CID 111800807

IUPACN'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC(F)(F)F)N1CCSCC1
InChIInChI=1S/C8H14F3N3S.HI/c9-8(10,11)1-2-13-7(12)14-3-5-15-6-4-14;/h1-6H2,(H2,12,13);1H
InChIKeyNARQHGUWEDPHPD-UHFFFAOYSA-N
MW369.19 g/mol
LogP1.92
Rot. Bonds2

About N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide

N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111800807) has the molecular formula C8H15F3IN3S and a molecular weight of 369.19 g/mol. Its IUPAC name is N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111800807
Molecular FormulaC8H15F3IN3S
Molecular Weight369.19 g/mol
Exact Mass369.00
IUPAC NameN'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC(F)(F)F)N1CCSCC1
InChIInChI=1S/C8H14F3N3S.HI/c9-8(10,11)1-2-13-7(12)14-3-5-15-6-4-14;/h1-6H2,(H2,12,13);1H
InChIKeyNARQHGUWEDPHPD-UHFFFAOYSA-N
XLogP1.92
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 51.92
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

N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111046624
N'-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111046708
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 120973293
N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
CID 111063496
N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814755
N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111024484
N'-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]thiomorpholine-4-carboximidamide
CID 111046709
N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111028465
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111087619
N'-(2-tert-butylsulfonylethyl)thiomorpholine-4-carboximidamide
CID 111812180
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719

Frequently Asked Questions

What is the IUPAC name of N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 111800807) is N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCC(F)(F)F)N1CCSCC1.
What is the InChIKey of N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is NARQHGUWEDPHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3S.HI/c9-8(10,11)1-2-13-7(12)14-3-5-15-6-4-14;/h1-6H2,(H2,12,13);1H.
What are the key properties of N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide?
N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 369.19 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111800807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).