1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride

C12H23ClN2O2S — CID 119937092

IUPAC1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
SMILESCC1(C)CN(C(=O)CC2CSCCN2)CCO1.Cl
InChIInChI=1S/C12H22N2O2S.ClH/c1-12(2)9-14(4-5-16-12)11(15)7-10-8-17-6-3-13-10;/h10,13H,3-9H2,1-2H3;1H
InChIKeyRTLFHJMXTBKVSG-UHFFFAOYSA-N
MW294.85 g/mol
LogP1.14
Rot. Bonds2

About 1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride

1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride (PubChem CID 119937092) has the molecular formula C12H23ClN2O2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
PubChem CID119937092
Molecular FormulaC12H23ClN2O2S
Molecular Weight294.85 g/mol
Exact Mass294.12
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
SMILESCC1(C)CN(C(=O)CC2CSCCN2)CCO1.Cl
InChIInChI=1S/C12H22N2O2S.ClH/c1-12(2)9-14(4-5-16-12)11(15)7-10-8-17-6-3-13-10;/h10,13H,3-9H2,1-2H3;1H
InChIKeyRTLFHJMXTBKVSG-UHFFFAOYSA-N
XLogP1.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylmorpholin-4-yl)-2-piperidin-2-ylethanone
CID 43592977
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119940248
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(2,2-dimethylmorpholin-4-yl)-3-piperidin-2-ylpropan-1-one
CID 62212610
1-[4-(oxan-4-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119942338
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941928
1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone
CID 115746768
3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid
CID 66421306
1-(3,4-dimethylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421505
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride (CID 119937092) is 1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride is CC1(C)CN(C(=O)CC2CSCCN2)CCO1.Cl.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
The InChIKey is RTLFHJMXTBKVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S.ClH/c1-12(2)9-14(4-5-16-12)11(15)7-10-8-17-6-3-13-10;/h10,13H,3-9H2,1-2H3;1H.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride has a molecular weight of 294.85 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride is sourced from PubChem (CID 119937092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).