N'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide

C12H22IN3S — CID 86777334

IUPACN'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1CC=CCC1)N1CCSCC1
InChIInChI=1S/C12H21N3S.HI/c13-12(15-6-8-16-9-7-15)14-10-11-4-2-1-3-5-11;/h1-2,11H,3-10H2,(H2,13,14);1H
InChIKeySSMYKWNPFBMPMM-UHFFFAOYSA-N
MW367.30 g/mol
LogP2.32
Rot. Bonds2

About N'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide

N'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 86777334) has the molecular formula C12H22IN3S and a molecular weight of 367.30 g/mol. Its IUPAC name is N'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID86777334
Molecular FormulaC12H22IN3S
Molecular Weight367.30 g/mol
Exact Mass367.06
IUPAC NameN'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1CC=CCC1)N1CCSCC1
InChIInChI=1S/C12H21N3S.HI/c13-12(15-6-8-16-9-7-15)14-10-11-4-2-1-3-5-11;/h1-2,11H,3-10H2,(H2,13,14);1H
InChIKeySSMYKWNPFBMPMM-UHFFFAOYSA-N
XLogP2.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 52.32
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 86777334) is N'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC1CC=CCC1)N1CCSCC1.
What is the InChIKey of N'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is SSMYKWNPFBMPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S.HI/c13-12(15-6-8-16-9-7-15)14-10-11-4-2-1-3-5-11;/h1-2,11H,3-10H2,(H2,13,14);1H.
What are the key properties of N'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide?
N'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 367.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohex-3-en-1-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 86777334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).