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

C9H17N3OS — CID 3495578

IUPAC4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine
SMILESC1CNC(SCCN2CCOCC2)=N1
InChIInChI=1S/C9H17N3OS/c1-2-11-9(10-1)14-8-5-12-3-6-13-7-4-12/h1-8H2,(H,10,11)
InChIKeyOGQJWUWAZGIKCW-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.01
Rot. Bonds3

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

4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine (PubChem CID 3495578) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine
PubChem CID3495578
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine
SMILESC1CNC(SCCN2CCOCC2)=N1
InChIInChI=1S/C9H17N3OS/c1-2-11-9(10-1)14-8-5-12-3-6-13-7-4-12/h1-8H2,(H,10,11)
InChIKeyOGQJWUWAZGIKCW-UHFFFAOYSA-N
XLogP0.01
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone
CID 1711678
4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride
CID 13018881
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride
CID 44639622
2-(2-Morpholin-4-ylethylimino)-1,3-thiazolidin-4-one
CID 137163350
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-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338707
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine?
The IUPAC name of 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine (CID 3495578) is 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine?
The canonical SMILES for 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine is C1CNC(SCCN2CCOCC2)=N1.
What is the InChIKey of 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine?
The InChIKey is OGQJWUWAZGIKCW-UHFFFAOYSA-N. 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).
What are the key properties of 4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine?
4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine has a molecular weight of 215.32 g/mol, XLogP of 0.01, 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 is sourced from PubChem (CID 3495578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).