1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone

C11H20N2OS2 — CID 115746768

IUPAC1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone
SMILESCC1CN(C(=O)CC2CSCCN2)CCS1
InChIInChI=1S/C11H20N2OS2/c1-9-7-13(3-5-16-9)11(14)6-10-8-15-4-2-12-10/h9-10,12H,2-8H2,1H3
InChIKeySPYAIGQSLFBXHB-UHFFFAOYSA-N
MW260.43 g/mol
LogP1.05
Rot. Bonds2

About 1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone

1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone (PubChem CID 115746768) has the molecular formula C11H20N2OS2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone
PubChem CID115746768
Molecular FormulaC11H20N2OS2
Molecular Weight260.43 g/mol
Exact Mass260.10
IUPAC Name1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone
SMILESCC1CN(C(=O)CC2CSCCN2)CCS1
InChIInChI=1S/C11H20N2OS2/c1-9-7-13(3-5-16-9)11(14)6-10-8-15-4-2-12-10/h9-10,12H,2-8H2,1H3
InChIKeySPYAIGQSLFBXHB-UHFFFAOYSA-N
XLogP1.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421505
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119942030
1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422913
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-[3-(diethylamino)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941033
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66421814
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66422097
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941928

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone (CID 115746768) is 1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone is CC1CN(C(=O)CC2CSCCN2)CCS1.
What is the InChIKey of 1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone?
The InChIKey is SPYAIGQSLFBXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS2/c1-9-7-13(3-5-16-9)11(14)6-10-8-15-4-2-12-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone?
1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone has a molecular weight of 260.43 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 115746768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).