N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide

C15H30N4S — CID 111056223

IUPACN'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide
SMILESCN(C)C(C/N=C(\N)N1CCSCC1)C1CCCCC1
InChIInChI=1S/C15H30N4S/c1-18(2)14(13-6-4-3-5-7-13)12-17-15(16)19-8-10-20-11-9-19/h13-14H,3-12H2,1-2H3,(H2,16,17)
InChIKeyNAGQHFVOVOOCCD-UHFFFAOYSA-N
MW298.50 g/mol
LogP1.86
Rot. Bonds4

About N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide

N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide (PubChem CID 111056223) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide
PubChem CID111056223
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC NameN'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide
SMILESCN(C)C(C/N=C(\N)N1CCSCC1)C1CCCCC1
InChIInChI=1S/C15H30N4S/c1-18(2)14(13-6-4-3-5-7-13)12-17-15(16)19-8-10-20-11-9-19/h13-14H,3-12H2,1-2H3,(H2,16,17)
InChIKeyNAGQHFVOVOOCCD-UHFFFAOYSA-N
XLogP1.86
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide
CID 111056235
N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide
CID 111042922
N'-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041798
tert-butyl 4-[N'-[2-cyclopropyl-2-(dimethylamino)ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111073285
N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide
CID 111601054
N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
CID 111063496
N'-(2-ethylhexyl)thiomorpholine-4-carboximidamide
CID 111022524
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-(3-ethyl-2-pyrrolidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111042220
N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 75534648
N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111056636
N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111029283

Frequently Asked Questions

What is the IUPAC name of N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide (CID 111056223) is N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide is CN(C)C(C/N=C(\N)N1CCSCC1)C1CCCCC1.
What is the InChIKey of N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is NAGQHFVOVOOCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-18(2)14(13-6-4-3-5-7-13)12-17-15(16)19-8-10-20-11-9-19/h13-14H,3-12H2,1-2H3,(H2,16,17).
What are the key properties of N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide?
N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 298.50 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111056223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).