4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide

C9H19Br2N3OS — CID 18529054

IUPAC4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide
SMILESC1C[NH2+]C(SCCN2CCOCC2)=[NH+]1.[Br-].[Br-]
InChIInChI=1S/C9H17N3OS.2BrH/c1-2-11-9(10-1)14-8-5-12-3-6-13-7-4-12;;/h1-8H2,(H,10,11);2*1H
InChIKeyJXVDJWWCIYLBDX-UHFFFAOYSA-N
MW377.15 g/mol
LogP-8.93
Rot. Bonds3

About 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide

4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide (PubChem CID 18529054) has the molecular formula C9H19Br2N3OS and a molecular weight of 377.15 g/mol. Its IUPAC name is 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide.

Molecular Properties

Compound Name4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide
PubChem CID18529054
Molecular FormulaC9H19Br2N3OS
Molecular Weight377.15 g/mol
Exact Mass374.96
IUPAC Name4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide
SMILESC1C[NH2+]C(SCCN2CCOCC2)=[NH+]1.[Br-].[Br-]
InChIInChI=1S/C9H17N3OS.2BrH/c1-2-11-9(10-1)14-8-5-12-3-6-13-7-4-12;;/h1-8H2,(H,10,11);2*1H
InChIKeyJXVDJWWCIYLBDX-UHFFFAOYSA-N
XLogP-8.93
TPSA43.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 5-8.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dihydro-1H-imidazol-2-yl 2-(4-morpholinyl)ethyl sulfide
CID 3495578
4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride
CID 13018881
[2-(4-Morpholinyl)-4,5-dihydro-1,3-thiazol-5-yl]methyl imidothiocarbamate dihydrobromide
CID 2836367
4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine
CID 4609185
4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholin-4-ium
CID 6990433
N-(2-morpholin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338730
N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068278
N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43348270
5-methyl-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43439981
N-(1-morpholin-4-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61504347
5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61504426
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844861

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide?
The IUPAC name of 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide (CID 18529054) is 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide.
What is the SMILES notation for 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide?
The canonical SMILES for 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide is C1C[NH2+]C(SCCN2CCOCC2)=[NH+]1.[Br-].[Br-].
What is the InChIKey of 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide?
The InChIKey is JXVDJWWCIYLBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS.2BrH/c1-2-11-9(10-1)14-8-5-12-3-6-13-7-4-12;;/h1-8H2,(H,10,11);2*1H.
What are the key properties of 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide?
4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide has a molecular weight of 377.15 g/mol, XLogP of -8.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine dibromide is sourced from PubChem (CID 18529054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).