2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid

C11H11Cl2NO3S2 — CID 113263242

IUPAC2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H11Cl2NO3S2/c12-8-4-7(10(13)19-8)11(17)14-1-2-18-5-6(14)3-9(15)16/h4,6H,1-3,5H2,(H,15,16)
InChIKeyFSDZWSLRZMJLAM-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.09
Rot. Bonds3

About 2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid

2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid (PubChem CID 113263242) has the molecular formula C11H11Cl2NO3S2 and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid
PubChem CID113263242
Molecular FormulaC11H11Cl2NO3S2
Molecular Weight340.25 g/mol
Exact Mass338.96
IUPAC Name2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H11Cl2NO3S2/c12-8-4-7(10(13)19-8)11(17)14-1-2-18-5-6(14)3-9(15)16/h4,6H,1-3,5H2,(H,15,16)
InChIKeyFSDZWSLRZMJLAM-UHFFFAOYSA-N
XLogP3.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66443899
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CID 71877139
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CID 75383990
CID 75383990
CID 78803993
CID 78803993
CID 79685750
CID 79685750
CID 97010366
CID 97010366
CID 97010367
CID 97010367
CID 103604589
CID 103604589
CID 103604646
CID 103604646

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid (CID 113263242) is 2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is FSDZWSLRZMJLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3S2/c12-8-4-7(10(13)19-8)11(17)14-1-2-18-5-6(14)3-9(15)16/h4,6H,1-3,5H2,(H,15,16).
What are the key properties of 2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid?
2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 340.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dichlorothiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 113263242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).