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

C10H18ClN3OS — CID 173113796

IUPAC2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride
SMILESCN1C=CN(CC(=O)N2CCSCC2)C1.Cl
InChIInChI=1S/C10H17N3OS.ClH/c1-11-2-3-12(9-11)8-10(14)13-4-6-15-7-5-13;/h2-3H,4-9H2,1H3;1H
InChIKeyWNLZUWKMFLGHBW-UHFFFAOYSA-N
MW263.79 g/mol
LogP0.66
Rot. Bonds2

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

2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride (PubChem CID 173113796) has the molecular formula C10H18ClN3OS and a molecular weight of 263.79 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride
PubChem CID173113796
Molecular FormulaC10H18ClN3OS
Molecular Weight263.79 g/mol
Exact Mass263.09
IUPAC Name2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride
SMILESCN1C=CN(CC(=O)N2CCSCC2)C1.Cl
InChIInChI=1S/C10H17N3OS.ClH/c1-11-2-3-12(9-11)8-10(14)13-4-6-15-7-5-13;/h2-3H,4-9H2,1H3;1H
InChIKeyWNLZUWKMFLGHBW-UHFFFAOYSA-N
XLogP0.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride?
The IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride (CID 173113796) is 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride is CN1C=CN(CC(=O)N2CCSCC2)C1.Cl.
What is the InChIKey of 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride?
The InChIKey is WNLZUWKMFLGHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS.ClH/c1-11-2-3-12(9-11)8-10(14)13-4-6-15-7-5-13;/h2-3H,4-9H2,1H3;1H.
What are the key properties of 2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride?
2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride has a molecular weight of 263.79 g/mol, XLogP of 0.66, 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;hydrochloride is sourced from PubChem (CID 173113796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).