thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone

C13H13NOS3 — CID 71690079

IUPACthiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
SMILESO=C(c1cc(-c2cccs2)cs1)N1CCSCC1
InChIInChI=1S/C13H13NOS3/c15-13(14-3-6-16-7-4-14)12-8-10(9-18-12)11-2-1-5-17-11/h1-2,5,8-9H,3-4,6-7H2
InChIKeyYQUWQNXRWUGGDS-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.67
Rot. Bonds2

About thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone

thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone (PubChem CID 71690079) has the molecular formula C13H13NOS3 and a molecular weight of 295.45 g/mol. Its IUPAC name is thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Namethiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
PubChem CID71690079
Molecular FormulaC13H13NOS3
Molecular Weight295.45 g/mol
Exact Mass295.02
IUPAC Namethiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
SMILESO=C(c1cc(-c2cccs2)cs1)N1CCSCC1
InChIInChI=1S/C13H13NOS3/c15-13(14-3-6-16-7-4-14)12-8-10(9-18-12)11-2-1-5-17-11/h1-2,5,8-9H,3-4,6-7H2
InChIKeyYQUWQNXRWUGGDS-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone?
The IUPAC name of thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone (CID 71690079) is thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone?
The canonical SMILES for thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone is O=C(c1cc(-c2cccs2)cs1)N1CCSCC1.
What is the InChIKey of thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone?
The InChIKey is YQUWQNXRWUGGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS3/c15-13(14-3-6-16-7-4-14)12-8-10(9-18-12)11-2-1-5-17-11/h1-2,5,8-9H,3-4,6-7H2.
What are the key properties of thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone?
thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone has a molecular weight of 295.45 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 71690079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).