1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride

C9H19ClN2OS — CID 119791850

IUPAC1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCSC(C)(C)C1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-9(2)7-11(4-5-13-9)8(12)6-10-3;/h10H,4-7H2,1-3H3;1H
InChIKeyAYRWAVAHAMYDKS-UHFFFAOYSA-N
MW238.78 g/mol
LogP0.98
Rot. Bonds2

About 1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride

1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride (PubChem CID 119791850) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is 1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride
PubChem CID119791850
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC Name1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCSC(C)(C)C1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-9(2)7-11(4-5-13-9)8(12)6-10-3;/h10H,4-7H2,1-3H3;1H
InChIKeyAYRWAVAHAMYDKS-UHFFFAOYSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride (CID 119791850) is 1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride is CNCC(=O)N1CCSC(C)(C)C1.Cl.
What is the InChIKey of 1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride?
The InChIKey is AYRWAVAHAMYDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c1-9(2)7-11(4-5-13-9)8(12)6-10-3;/h10H,4-7H2,1-3H3;1H.
What are the key properties of 1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride?
1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 119791850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).