2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone

C10H17N3OS — CID 21079168

IUPAC2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone
SMILESCN1C=CN(CC(=O)N2CCSCC2)C1
InChIInChI=1S/C10H17N3OS/c1-11-2-3-12(9-11)8-10(14)13-4-6-15-7-5-13/h2-3H,4-9H2,1H3
InChIKeyKBWNTFOFEWYQFS-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.24
Rot. Bonds2

About 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone

2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone (PubChem CID 21079168) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone
PubChem CID21079168
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone
SMILESCN1C=CN(CC(=O)N2CCSCC2)C1
InChIInChI=1S/C10H17N3OS/c1-11-2-3-12(9-11)8-10(14)13-4-6-15-7-5-13/h2-3H,4-9H2,1H3
InChIKeyKBWNTFOFEWYQFS-UHFFFAOYSA-N
XLogP0.24
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone
CID 56994914
2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride
CID 173113796

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone (CID 21079168) is 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone is CN1C=CN(CC(=O)N2CCSCC2)C1.
What is the InChIKey of 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone?
The InChIKey is KBWNTFOFEWYQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-11-2-3-12(9-11)8-10(14)13-4-6-15-7-5-13/h2-3H,4-9H2,1H3.
What are the key properties of 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone?
2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone has a molecular weight of 227.33 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 21079168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).