N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide

C13H25N3S — CID 111063496

IUPACN'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCC1CCCCC1)N1CCSCC1
InChIInChI=1S/C13H25N3S/c14-13(16-8-10-17-11-9-16)15-7-6-12-4-2-1-3-5-12/h12H,1-11H2,(H2,14,15)
InChIKeyBITXJRUEZSHPFB-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.32
Rot. Bonds3

About N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide

N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide (PubChem CID 111063496) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
PubChem CID111063496
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCC1CCCCC1)N1CCSCC1
InChIInChI=1S/C13H25N3S/c14-13(16-8-10-17-11-9-16)15-7-6-12-4-2-1-3-5-12/h12H,1-11H2,(H2,14,15)
InChIKeyBITXJRUEZSHPFB-UHFFFAOYSA-N
XLogP2.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
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'}

Analyze N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814755
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110018690
N'-(4-cyclopentylbutyl)piperidine-1-carboximidamide
CID 111814768
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807637
N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111072540
N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111800807
N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 122096518
N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111802041
N'-[2-(cyclopropylmethylsulfonyl)ethyl]thiomorpholine-4-carboximidamide
CID 119164683
N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide
CID 111601054

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide (CID 111063496) is N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide is N/C(=N\CCC1CCCCC1)N1CCSCC1.
What is the InChIKey of N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide?
The InChIKey is BITXJRUEZSHPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c14-13(16-8-10-17-11-9-16)15-7-6-12-4-2-1-3-5-12/h12H,1-11H2,(H2,14,15).
What are the key properties of N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide?
N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide has a molecular weight of 255.43 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111063496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).