N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide

C10H20IN3S — CID 111814637

IUPACN'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC1CC1)N1CCSCC1
InChIInChI=1S/C10H19N3S.HI/c11-10(12-4-3-9-1-2-9)13-5-7-14-8-6-13;/h9H,1-8H2,(H2,11,12);1H
InChIKeyPAXWNJVBJMPJQW-UHFFFAOYSA-N
MW341.26 g/mol
LogP1.77
Rot. Bonds3

About N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide

N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111814637) has the molecular formula C10H20IN3S and a molecular weight of 341.26 g/mol. Its IUPAC name is N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111814637
Molecular FormulaC10H20IN3S
Molecular Weight341.26 g/mol
Exact Mass341.04
IUPAC NameN'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC1CC1)N1CCSCC1
InChIInChI=1S/C10H19N3S.HI/c11-10(12-4-3-9-1-2-9)13-5-7-14-8-6-13;/h9H,1-8H2,(H2,11,12);1H
InChIKeyPAXWNJVBJMPJQW-UHFFFAOYSA-N
XLogP1.77
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 111814637) is N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCC1CC1)N1CCSCC1.
What is the InChIKey of N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is PAXWNJVBJMPJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S.HI/c11-10(12-4-3-9-1-2-9)13-5-7-14-8-6-13;/h9H,1-8H2,(H2,11,12);1H.
What are the key properties of N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide?
N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 341.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopropylethyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111814637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).