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

C9H19N3OS+2 — CID 4609185

IUPAC4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine
SMILESC1C[NH2+]C(SCCN2CCOCC2)=[NH+]1
InChIInChI=1S/C9H17N3OS/c1-2-11-9(10-1)14-8-5-12-3-6-13-7-4-12/h1-8H2,(H,10,11)/p+2
InChIKeyOGQJWUWAZGIKCW-UHFFFAOYSA-P
MW217.34 g/mol
LogP-2.93
Rot. Bonds3

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

4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine (PubChem CID 4609185) has the molecular formula C9H19N3OS+2 and a molecular weight of 217.34 g/mol. Its IUPAC name is 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine
PubChem CID4609185
Molecular FormulaC9H19N3OS+2
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC Name4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine
SMILESC1C[NH2+]C(SCCN2CCOCC2)=[NH+]1
InChIInChI=1S/C9H17N3OS/c1-2-11-9(10-1)14-8-5-12-3-6-13-7-4-12/h1-8H2,(H,10,11)/p+2
InChIKeyOGQJWUWAZGIKCW-UHFFFAOYSA-P
XLogP-2.93
TPSA43.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 5-2.93
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
CID 2836368
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
[(5R)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate
CID 40500753
[(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate
CID 40500754
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine?
The IUPAC name of 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine (CID 4609185) is 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine?
The canonical SMILES for 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine is C1C[NH2+]C(SCCN2CCOCC2)=[NH+]1.
What is the InChIKey of 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine?
The InChIKey is OGQJWUWAZGIKCW-UHFFFAOYSA-P. The full InChI is InChI=1S/C9H17N3OS/c1-2-11-9(10-1)14-8-5-12-3-6-13-7-4-12/h1-8H2,(H,10,11)/p+2.
What are the key properties of 4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine?
4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine has a molecular weight of 217.34 g/mol, XLogP of -2.93, 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 is sourced from PubChem (CID 4609185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).