4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine

C11H19N3OS — CID 75393586

IUPAC4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine
SMILESCn1ccnc1CSCCN1CCOCC1
InChIInChI=1S/C11H19N3OS/c1-13-3-2-12-11(13)10-16-9-6-14-4-7-15-8-5-14/h2-3H,4-10H2,1H3
InChIKeyLJJZDCNMCMIYTB-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.99
Rot. Bonds5

About 4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine

4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine (PubChem CID 75393586) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine
PubChem CID75393586
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine
SMILESCn1ccnc1CSCCN1CCOCC1
InChIInChI=1S/C11H19N3OS/c1-13-3-2-12-11(13)10-16-9-6-14-4-7-15-8-5-14/h2-3H,4-10H2,1H3
InChIKeyLJJZDCNMCMIYTB-UHFFFAOYSA-N
XLogP0.99
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(((1-methyl-1H-imidazol-2-yl)methyl)sulfanyl)ethan-1-ol
CID 43502621
(NE)-N-[[1-methyl-3-[2-(2-methylsulfonylethoxy)ethyl]imidazol-1-ium-2-yl]methylidene]hydroxylamine chloride
CID 136001967
(NE)-N-[[1-methyl-3-(2-morpholin-4-ylethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine;chloride;hydrochloride
CID 136002010
Imidazol-1-yl(morpholin-4-yl)methanethione
CID 12185736
4-[2-(2-Methylimidazol-1-yl)ethyl]morpholine
CID 56798444
4-{[1-(prop-2-yn-1-yl)-1H-imidazol-2-yl]methyl}morpholine
CID 13043020
4-[(1-ethyl-1H-imidazol-2-yl)methyl]morpholine
CID 91623565
4-(1-Methyl-1H-imidazol-2-yl)-morpholine
CID 13034373
1H-Imidazole, 1-(2-methoxyethyl)-2-methyl-
CID 22928248
1-(2-Methoxyethyl)-2,3-dimethylimidazol-3-ium
CID 59602015
4-[3-(2-methyl-1H-imidazol-1-yl)propyl]-1,3,4-oxathiazinane 3,3-dioxide
CID 70755206
2-ethylsulfanyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 71908436

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine (CID 75393586) is 4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine is Cn1ccnc1CSCCN1CCOCC1.
What is the InChIKey of 4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine?
The InChIKey is LJJZDCNMCMIYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-13-3-2-12-11(13)10-16-9-6-14-4-7-15-8-5-14/h2-3H,4-10H2,1H3.
What are the key properties of 4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine?
4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine has a molecular weight of 241.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-methylimidazol-2-yl)methylsulfanyl]ethyl]morpholine is sourced from PubChem (CID 75393586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).