1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride

C11H22ClN3O4S — CID 119696186

IUPAC1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
SMILESCS(=O)(=O)N1CCN(C(=O)CC2CNCCO2)CC1.Cl
InChIInChI=1S/C11H21N3O4S.ClH/c1-19(16,17)14-5-3-13(4-6-14)11(15)8-10-9-12-2-7-18-10;/h10,12H,2-9H2,1H3;1H
InChIKeyKAQFVOMUFJDJAY-UHFFFAOYSA-N
MW327.83 g/mol
LogP-1.11
Rot. Bonds3

About 1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride

1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride (PubChem CID 119696186) has the molecular formula C11H22ClN3O4S and a molecular weight of 327.83 g/mol. Its IUPAC name is 1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
PubChem CID119696186
Molecular FormulaC11H22ClN3O4S
Molecular Weight327.83 g/mol
Exact Mass327.10
IUPAC Name1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
SMILESCS(=O)(=O)N1CCN(C(=O)CC2CNCCO2)CC1.Cl
InChIInChI=1S/C11H21N3O4S.ClH/c1-19(16,17)14-5-3-13(4-6-14)11(15)8-10-9-12-2-7-18-10;/h10,12H,2-9H2,1H3;1H
InChIKeyKAQFVOMUFJDJAY-UHFFFAOYSA-N
XLogP-1.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
2-morpholin-2-yl-1-thiomorpholin-4-ylethanone
CID 66434733
1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119781999
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119788325
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-morpholin-2-ylethanone
CID 66428289
1-(2-ethylmorpholin-4-yl)-2-morpholin-2-ylethanone
CID 66432993
N-methyl-1-(2-morpholin-2-ylacetyl)piperidine-4-carboxamide
CID 66433581
1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone
CID 107404309
methyl 1-(2-morpholin-2-ylacetyl)piperidine-4-carboxylate
CID 66433180
1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119771962
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 107217362
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride
CID 119399314

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride?
The IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride (CID 119696186) is 1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride is CS(=O)(=O)N1CCN(C(=O)CC2CNCCO2)CC1.Cl.
What is the InChIKey of 1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride?
The InChIKey is KAQFVOMUFJDJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S.ClH/c1-19(16,17)14-5-3-13(4-6-14)11(15)8-10-9-12-2-7-18-10;/h10,12H,2-9H2,1H3;1H.
What are the key properties of 1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride?
1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride has a molecular weight of 327.83 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119696186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).