1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one

C12H17NOS2 — CID 103595167

IUPAC1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one
SMILESCN1CCSCC1C(=O)CCc1ccsc1
InChIInChI=1S/C12H17NOS2/c1-13-5-7-16-9-11(13)12(14)3-2-10-4-6-15-8-10/h4,6,8,11H,2-3,5,7,9H2,1H3
InChIKeyOFTDEBIKKRHENN-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.30
Rot. Bonds4

About 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one

1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one (PubChem CID 103595167) has the molecular formula C12H17NOS2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one
PubChem CID103595167
Molecular FormulaC12H17NOS2
Molecular Weight255.41 g/mol
Exact Mass255.08
IUPAC Name1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one
SMILESCN1CCSCC1C(=O)CCc1ccsc1
InChIInChI=1S/C12H17NOS2/c1-13-5-7-16-9-11(13)12(14)3-2-10-4-6-15-8-10/h4,6,8,11H,2-3,5,7,9H2,1H3
InChIKeyOFTDEBIKKRHENN-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one (CID 103595167) is 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one is CN1CCSCC1C(=O)CCc1ccsc1.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is OFTDEBIKKRHENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS2/c1-13-5-7-16-9-11(13)12(14)3-2-10-4-6-15-8-10/h4,6,8,11H,2-3,5,7,9H2,1H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one?
1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 255.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 103595167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).