2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide

C11H14N2O2S4 — CID 14460486

IUPAC2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide
SMILESNS(=O)(=O)c1cc2cc(CN3CCSCC3)sc2s1
InChIInChI=1S/C11H14N2O2S4/c12-19(14,15)10-6-8-5-9(17-11(8)18-10)7-13-1-3-16-4-2-13/h5-6H,1-4,7H2,(H2,12,14,15)
InChIKeyPJAPCXYMSCUGLK-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.16
Rot. Bonds3

About 2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide

2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide (PubChem CID 14460486) has the molecular formula C11H14N2O2S4 and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide.

Molecular Properties

Compound Name2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide
PubChem CID14460486
Molecular FormulaC11H14N2O2S4
Molecular Weight334.51 g/mol
Exact Mass333.99
IUPAC Name2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide
SMILESNS(=O)(=O)c1cc2cc(CN3CCSCC3)sc2s1
InChIInChI=1S/C11H14N2O2S4/c12-19(14,15)10-6-8-5-9(17-11(8)18-10)7-13-1-3-16-4-2-13/h5-6H,1-4,7H2,(H2,12,14,15)
InChIKeyPJAPCXYMSCUGLK-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide?
The IUPAC name of 2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide (CID 14460486) is 2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide.
What is the SMILES notation for 2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide?
The canonical SMILES for 2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide is NS(=O)(=O)c1cc2cc(CN3CCSCC3)sc2s1.
What is the InChIKey of 2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide?
The InChIKey is PJAPCXYMSCUGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S4/c12-19(14,15)10-6-8-5-9(17-11(8)18-10)7-13-1-3-16-4-2-13/h5-6H,1-4,7H2,(H2,12,14,15).
What are the key properties of 2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide?
2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide is sourced from PubChem (CID 14460486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).