1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone

C11H15NOS2 — CID 116586505

IUPAC1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
SMILESCc1ccc(C(=O)CC2CSCCN2)s1
InChIInChI=1S/C11H15NOS2/c1-8-2-3-11(15-8)10(13)6-9-7-14-5-4-12-9/h2-3,9,12H,4-7H2,1H3
InChIKeySUQVNZOCKOSFFX-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.33
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone

1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone (PubChem CID 116586505) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
PubChem CID116586505
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC Name1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
SMILESCc1ccc(C(=O)CC2CSCCN2)s1
InChIInChI=1S/C11H15NOS2/c1-8-2-3-11(15-8)10(13)6-9-7-14-5-4-12-9/h2-3,9,12H,4-7H2,1H3
InChIKeySUQVNZOCKOSFFX-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119937606
5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 119938169
1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586513
2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 116582234
N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937832
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiomorpholin-3-ylethanone
CID 116586568
1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone
CID 116586475
1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586701
2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
CID 43160755
1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586592
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
1-(2-methyltriazol-4-yl)-2-thiomorpholin-3-ylethanone
CID 130603430

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone (CID 116586505) is 1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone is Cc1ccc(C(=O)CC2CSCCN2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone?
The InChIKey is SUQVNZOCKOSFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c1-8-2-3-11(15-8)10(13)6-9-7-14-5-4-12-9/h2-3,9,12H,4-7H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone?
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone has a molecular weight of 241.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116586505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).