4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride

C9H19Cl2N3OS — CID 13018881

IUPAC4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride
SMILESC1CNC(SCCN2CCOCC2)=N1.Cl.Cl
InChIInChI=1S/C9H17N3OS.2ClH/c1-2-11-9(10-1)14-8-5-12-3-6-13-7-4-12;;/h1-8H2,(H,10,11);2*1H
InChIKeyHYZCTVPYYZGATR-UHFFFAOYSA-N
MW288.24 g/mol
LogP0.85
Rot. Bonds3

About 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride

4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride (PubChem CID 13018881) has the molecular formula C9H19Cl2N3OS and a molecular weight of 288.24 g/mol. Its IUPAC name is 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride
PubChem CID13018881
Molecular FormulaC9H19Cl2N3OS
Molecular Weight288.24 g/mol
Exact Mass287.06
IUPAC Name4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride
SMILESC1CNC(SCCN2CCOCC2)=N1.Cl.Cl
InChIInChI=1S/C9H17N3OS.2ClH/c1-2-11-9(10-1)14-8-5-12-3-6-13-7-4-12;;/h1-8H2,(H,10,11);2*1H
InChIKeyHYZCTVPYYZGATR-UHFFFAOYSA-N
XLogP0.85
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dihydro-1H-imidazol-2-yl 2-(4-morpholinyl)ethyl sulfide
CID 3495578
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride
CID 44639622
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
2-(2-Morpholin-4-ylethylthio)-2-imidazoline, bromide, bromide
CID 18529054
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
5-methyl-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43440137
4-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 54965081
N-(1-morpholin-4-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61504347

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride?
The IUPAC name of 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride (CID 13018881) is 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride is C1CNC(SCCN2CCOCC2)=N1.Cl.Cl.
What is the InChIKey of 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride?
The InChIKey is HYZCTVPYYZGATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS.2ClH/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-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride?
4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride has a molecular weight of 288.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride is sourced from PubChem (CID 13018881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).