3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one

C11H19N3O2S — CID 66421309

IUPAC3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)CC1CSCCN1
InChIInChI=1S/C11H19N3O2S/c1-8-11(16)13-2-4-14(8)10(15)6-9-7-17-5-3-12-9/h8-9,12H,2-7H2,1H3,(H,13,16)
InChIKeyCQLKDCXGRFJZAU-UHFFFAOYSA-N
MW257.36 g/mol
LogP-0.57
Rot. Bonds2

About 3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one

3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one (PubChem CID 66421309) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one
PubChem CID66421309
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)CC1CSCCN1
InChIInChI=1S/C11H19N3O2S/c1-8-11(16)13-2-4-14(8)10(15)6-9-7-17-5-3-12-9/h8-9,12H,2-7H2,1H3,(H,13,16)
InChIKeyCQLKDCXGRFJZAU-UHFFFAOYSA-N
XLogP-0.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119939774
7-phenyl-1-(2-thiomorpholin-3-ylacetyl)-1,4-diazepan-5-one;hydrochloride
CID 119937231
1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119938341
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-(2-methyl-3-phenylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119940002
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
(4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 66421279
1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone
CID 115746768
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119936904
1-(3,4-dimethylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421505
2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
CID 66420475

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one (CID 66421309) is 3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one is CC1C(=O)NCCN1C(=O)CC1CSCCN1.
What is the InChIKey of 3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one?
The InChIKey is CQLKDCXGRFJZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8-11(16)13-2-4-14(8)10(15)6-9-7-17-5-3-12-9/h8-9,12H,2-7H2,1H3,(H,13,16).
What are the key properties of 3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one?
3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one has a molecular weight of 257.36 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one is sourced from PubChem (CID 66421309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).