3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid

C10H13NO3S — CID 43153219

IUPAC3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1CCSCC1
InChIInChI=1S/C10H13NO3S/c12-10(13)9-8(1-4-14-9)7-11-2-5-15-6-3-11/h1,4H,2-3,5-7H2,(H,12,13)
InChIKeyHQIQYWYTMJFNKA-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.53
Rot. Bonds3

About 3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid

3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid (PubChem CID 43153219) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid
PubChem CID43153219
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1CCSCC1
InChIInChI=1S/C10H13NO3S/c12-10(13)9-8(1-4-14-9)7-11-2-5-15-6-3-11/h1,4H,2-3,5-7H2,(H,12,13)
InChIKeyHQIQYWYTMJFNKA-UHFFFAOYSA-N
XLogP1.53
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid?
The IUPAC name of 3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid (CID 43153219) is 3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid is O=C(O)c1occc1CN1CCSCC1.
What is the InChIKey of 3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid?
The InChIKey is HQIQYWYTMJFNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c12-10(13)9-8(1-4-14-9)7-11-2-5-15-6-3-11/h1,4H,2-3,5-7H2,(H,12,13).
What are the key properties of 3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid?
3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid is sourced from PubChem (CID 43153219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).