(2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone

C11H13Cl2NO2S2 — CID 97010367

IUPAC(2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCSC[C@H]1CCO
InChIInChI=1S/C11H13Cl2NO2S2/c12-9-5-8(10(13)18-9)11(16)14-2-4-17-6-7(14)1-3-15/h5,7,15H,1-4,6H2/t7-/m1/s1
InChIKeyWTUQFHIBIGGSNF-SSDOTTSWSA-N
MW326.27 g/mol
LogP2.99
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone

(2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone (PubChem CID 97010367) has the molecular formula C11H13Cl2NO2S2 and a molecular weight of 326.27 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone
PubChem CID97010367
Molecular FormulaC11H13Cl2NO2S2
Molecular Weight326.27 g/mol
Exact Mass324.98
IUPAC Name(2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCSC[C@H]1CCO
InChIInChI=1S/C11H13Cl2NO2S2/c12-9-5-8(10(13)18-9)11(16)14-2-4-17-6-7(14)1-3-15/h5,7,15H,1-4,6H2/t7-/m1/s1
InChIKeyWTUQFHIBIGGSNF-SSDOTTSWSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone (CID 97010367) is (2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone is O=C(c1cc(Cl)sc1Cl)N1CCSC[C@H]1CCO.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone?
The InChIKey is WTUQFHIBIGGSNF-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S2/c12-9-5-8(10(13)18-9)11(16)14-2-4-17-6-7(14)1-3-15/h5,7,15H,1-4,6H2/t7-/m1/s1.
What are the key properties of (2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone?
(2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone has a molecular weight of 326.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-[(3R)-3-(2-hydroxyethyl)thiomorpholin-4-yl]methanone is sourced from PubChem (CID 97010367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).