N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide

C15H29N3OS — CID 111601054

IUPACN'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide
SMILESCCOC(CC/N=C(\N)N1CCSCC1)C1CCCC1
InChIInChI=1S/C15H29N3OS/c1-2-19-14(13-5-3-4-6-13)7-8-17-15(16)18-9-11-20-12-10-18/h13-14H,2-12H2,1H3,(H2,16,17)
InChIKeyLOOKUUBNJDMDOB-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.34
Rot. Bonds6

About N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide

N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide (PubChem CID 111601054) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide
PubChem CID111601054
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC NameN'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide
SMILESCCOC(CC/N=C(\N)N1CCSCC1)C1CCCC1
InChIInChI=1S/C15H29N3OS/c1-2-19-14(13-5-3-4-6-13)7-8-17-15(16)18-9-11-20-12-10-18/h13-14H,2-12H2,1H3,(H2,16,17)
InChIKeyLOOKUUBNJDMDOB-UHFFFAOYSA-N
XLogP2.34
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.34
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-ethoxy-4-methylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111823098
N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111601046
N'-(2-cyclohexylethyl)thiomorpholine-4-carboximidamide
CID 111063496
N'-[2-cyclohexyl-2-(dimethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111056223
N'-(4-cyclopentylbutyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111814755
1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine
CID 111601024
(3S)-3-cyclopentyl-3-ethoxypropan-1-amine
CID 95757314
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide
CID 111037125
N'-[2-(dimethylamino)-3-ethylpentyl]thiomorpholine-4-carboximidamide
CID 111042922

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide (CID 111601054) is N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide is CCOC(CC/N=C(\N)N1CCSCC1)C1CCCC1.
What is the InChIKey of N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide?
The InChIKey is LOOKUUBNJDMDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-2-19-14(13-5-3-4-6-13)7-8-17-15(16)18-9-11-20-12-10-18/h13-14H,2-12H2,1H3,(H2,16,17).
What are the key properties of N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide?
N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide has a molecular weight of 299.48 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111601054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).