3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid

C10H12ClNO2S2 — CID 18376982

IUPAC3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1scc(CN2CCSCC2)c1Cl
InChIInChI=1S/C10H12ClNO2S2/c11-8-7(6-16-9(8)10(13)14)5-12-1-3-15-4-2-12/h6H,1-5H2,(H,13,14)
InChIKeyOYMJBNYINVIBQX-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.65
Rot. Bonds3

About 3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid

3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid (PubChem CID 18376982) has the molecular formula C10H12ClNO2S2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid
PubChem CID18376982
Molecular FormulaC10H12ClNO2S2
Molecular Weight277.80 g/mol
Exact Mass277.00
IUPAC Name3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1scc(CN2CCSCC2)c1Cl
InChIInChI=1S/C10H12ClNO2S2/c11-8-7(6-16-9(8)10(13)14)5-12-1-3-15-4-2-12/h6H,1-5H2,(H,13,14)
InChIKeyOYMJBNYINVIBQX-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic 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 3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid (CID 18376982) is 3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid is O=C(O)c1scc(CN2CCSCC2)c1Cl.
What is the InChIKey of 3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid?
The InChIKey is OYMJBNYINVIBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S2/c11-8-7(6-16-9(8)10(13)14)5-12-1-3-15-4-2-12/h6H,1-5H2,(H,13,14).
What are the key properties of 3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid?
3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid has a molecular weight of 277.80 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 18376982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).