5-thiomorpholin-4-ylfuran-2-carboxylic acid

C9H11NO3S — CID 62204593

IUPAC5-thiomorpholin-4-ylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCSCC2)o1
InChIInChI=1S/C9H11NO3S/c11-9(12)7-1-2-8(13-7)10-3-5-14-6-4-10/h1-2H,3-6H2,(H,11,12)
InChIKeyWVRZAZWGRSUUAI-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.53
Rot. Bonds2

About 5-thiomorpholin-4-ylfuran-2-carboxylic acid

5-thiomorpholin-4-ylfuran-2-carboxylic acid (PubChem CID 62204593) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-thiomorpholin-4-ylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-thiomorpholin-4-ylfuran-2-carboxylic acid
PubChem CID62204593
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name5-thiomorpholin-4-ylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCSCC2)o1
InChIInChI=1S/C9H11NO3S/c11-9(12)7-1-2-8(13-7)10-3-5-14-6-4-10/h1-2H,3-6H2,(H,11,12)
InChIKeyWVRZAZWGRSUUAI-UHFFFAOYSA-N
XLogP1.53
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-thiomorpholin-4-ylfuran-2-carboxylic acid?
The IUPAC name of 5-thiomorpholin-4-ylfuran-2-carboxylic acid (CID 62204593) is 5-thiomorpholin-4-ylfuran-2-carboxylic acid.
What is the SMILES notation for 5-thiomorpholin-4-ylfuran-2-carboxylic acid?
The canonical SMILES for 5-thiomorpholin-4-ylfuran-2-carboxylic acid is O=C(O)c1ccc(N2CCSCC2)o1.
What is the InChIKey of 5-thiomorpholin-4-ylfuran-2-carboxylic acid?
The InChIKey is WVRZAZWGRSUUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c11-9(12)7-1-2-8(13-7)10-3-5-14-6-4-10/h1-2H,3-6H2,(H,11,12).
What are the key properties of 5-thiomorpholin-4-ylfuran-2-carboxylic acid?
5-thiomorpholin-4-ylfuran-2-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiomorpholin-4-ylfuran-2-carboxylic acid is sourced from PubChem (CID 62204593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).