2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone

C11H21N3O4S2 — CID 51078513

IUPAC2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
SMILESCSCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C11H21N3O4S2/c1-19-10-11(15)12-2-4-13(5-3-12)20(16,17)14-6-8-18-9-7-14/h2-10H2,1H3
InChIKeyKMGBKHOMHCRWNA-UHFFFAOYSA-N
MW323.44 g/mol
LogP-0.93
Rot. Bonds4

About 2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone

2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 51078513) has the molecular formula C11H21N3O4S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID51078513
Molecular FormulaC11H21N3O4S2
Molecular Weight323.44 g/mol
Exact Mass323.10
IUPAC Name2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
SMILESCSCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C11H21N3O4S2/c1-19-10-11(15)12-2-4-13(5-3-12)20(16,17)14-6-8-18-9-7-14/h2-10H2,1H3
InChIKeyKMGBKHOMHCRWNA-UHFFFAOYSA-N
XLogP-0.93
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Acetyl-4-(morpholin-4-ylsulfonyl)piperazine
CID 2235310
1-Morpholin-4-yl-2-[(2-morpholin-4-yl-2-oxoethyl)disulfanyl]ethanone
CID 20217490
1-Morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione
CID 57188519
2-Morpholin-4-yl-1-thiomorpholin-4-ylethanone
CID 66546738
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone
CID 66546918
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione
CID 69453884
N-[2-[ethyl(methyl)amino]ethyl]-N-(2-morpholin-4-ylsulfonylethyl)acetamide
CID 89778318
(2-Morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate
CID 9458524
1-Morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone
CID 14367449
1-(4-Methylsulfonylpiperazin-1-yl)-2-morpholin-4-ylethane-1,2-dione
CID 45587418
1-[4-(2-Methylsulfanylpropanoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 47031369
1-Morpholin-4-yl-2-thiomorpholin-4-ylethanone
CID 52141793

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone (CID 51078513) is 2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone is CSCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is KMGBKHOMHCRWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S2/c1-19-10-11(15)12-2-4-13(5-3-12)20(16,17)14-6-8-18-9-7-14/h2-10H2,1H3.
What are the key properties of 2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone?
2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 323.44 g/mol, XLogP of -0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 51078513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).