2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid

C11H13NO3S2 — CID 66443899

IUPAC2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1ccsc1
InChIInChI=1S/C11H13NO3S2/c13-10(14)5-9-7-17-4-2-12(9)11(15)8-1-3-16-6-8/h1,3,6,9H,2,4-5,7H2,(H,13,14)
InChIKeyASFCIYNVPIQDDQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.78
Rot. Bonds3

About 2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid

2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid (PubChem CID 66443899) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid
PubChem CID66443899
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC Name2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1ccsc1
InChIInChI=1S/C11H13NO3S2/c13-10(14)5-9-7-17-4-2-12(9)11(15)8-1-3-16-6-8/h1,3,6,9H,2,4-5,7H2,(H,13,14)
InChIKeyASFCIYNVPIQDDQ-UHFFFAOYSA-N
XLogP1.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid (CID 66443899) is 2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)c1ccsc1.
What is the InChIKey of 2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is ASFCIYNVPIQDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S2/c13-10(14)5-9-7-17-4-2-12(9)11(15)8-1-3-16-6-8/h1,3,6,9H,2,4-5,7H2,(H,13,14).
What are the key properties of 2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid?
2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophene-3-carbonyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66443899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).