N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide

C14H30N4S — CID 111042922

IUPACN'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide
SMILESCCC(CC)C(C/N=C(\N)N1CCSCC1)N(C)C
InChIInChI=1S/C14H30N4S/c1-5-12(6-2)13(17(3)4)11-16-14(15)18-7-9-19-10-8-18/h12-13H,5-11H2,1-4H3,(H2,15,16)
InChIKeyBZZPMPJEDUHWHH-UHFFFAOYSA-N
MW286.49 g/mol
LogP1.72
Rot. Bonds6

About N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide

N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide (PubChem CID 111042922) has the molecular formula C14H30N4S and a molecular weight of 286.49 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide
PubChem CID111042922
Molecular FormulaC14H30N4S
Molecular Weight286.49 g/mol
Exact Mass286.22
IUPAC NameN'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide
SMILESCCC(CC)C(C/N=C(\N)N1CCSCC1)N(C)C
InChIInChI=1S/C14H30N4S/c1-5-12(6-2)13(17(3)4)11-16-14(15)18-7-9-19-10-8-18/h12-13H,5-11H2,1-4H3,(H2,15,16)
InChIKeyBZZPMPJEDUHWHH-UHFFFAOYSA-N
XLogP1.72
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 51.72
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'-(3-ethyl-2-pyrrolidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111042220
N'-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041798
N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111056223
N'-(2-ethylhexyl)thiomorpholine-4-carboximidamide
CID 111022524
N'-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111027333
N'-[2-(dimethylamino)-3-phenylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111029283
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719
N'-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111090433
N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
CID 111043624
N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide
CID 111970223
N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 75534648
N'-(2-ethyl-2-methylsulfanylbutyl)thiomorpholine-4-carboximidamide
CID 119148422

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide (CID 111042922) is N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide is CCC(CC)C(C/N=C(\N)N1CCSCC1)N(C)C.
What is the InChIKey of N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide?
The InChIKey is BZZPMPJEDUHWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4S/c1-5-12(6-2)13(17(3)4)11-16-14(15)18-7-9-19-10-8-18/h12-13H,5-11H2,1-4H3,(H2,15,16).
What are the key properties of N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide?
N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide has a molecular weight of 286.49 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111042922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).