N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide

C11H18IN3O2S — CID 111058255

IUPACN'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC(O)c1ccco1)N1CCSCC1
InChIInChI=1S/C11H17N3O2S.HI/c12-11(14-3-6-17-7-4-14)13-8-9(15)10-2-1-5-16-10;/h1-2,5,9,15H,3-4,6-8H2,(H2,12,13);1H
InChIKeyXBYYITTVBHVAPC-UHFFFAOYSA-N
MW383.26 g/mol
LogP1.29
Rot. Bonds3

About N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111058255) has the molecular formula C11H18IN3O2S and a molecular weight of 383.26 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111058255
Molecular FormulaC11H18IN3O2S
Molecular Weight383.26 g/mol
Exact Mass383.02
IUPAC NameN'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC(O)c1ccco1)N1CCSCC1
InChIInChI=1S/C11H17N3O2S.HI/c12-11(14-3-6-17-7-4-14)13-8-9(15)10-2-1-5-16-10;/h1-2,5,9,15H,3-4,6-8H2,(H2,12,13);1H
InChIKeyXBYYITTVBHVAPC-UHFFFAOYSA-N
XLogP1.29
TPSA74.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[2-(2-chlorophenyl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111801083
N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide
CID 130666162
N-[4-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111040394
N'-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111800155
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109488193
N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920430
N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111029283
N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
CID 111043624
N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117242
N,2-diethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485431
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117305
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111028674

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 111058255) is N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC(O)c1ccco1)N1CCSCC1.
What is the InChIKey of N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is XBYYITTVBHVAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S.HI/c12-11(14-3-6-17-7-4-14)13-8-9(15)10-2-1-5-16-10;/h1-2,5,9,15H,3-4,6-8H2,(H2,12,13);1H.
What are the key properties of N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 383.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111058255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).