4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine

C16H20N2O6S4 — CID 2739885

IUPAC4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)s1)N1CCOCC1
InChIInChI=1S/C16H20N2O6S4/c19-27(20,17-5-9-23-10-6-17)15-3-1-13(25-15)14-2-4-16(26-14)28(21,22)18-7-11-24-12-8-18/h1-4H,5-12H2
InChIKeyYFCCWAXNQQJRSJ-UHFFFAOYSA-N
MW464.61 g/mol
LogP1.52
Rot. Bonds5

About 4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine

4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine (PubChem CID 2739885) has the molecular formula C16H20N2O6S4 and a molecular weight of 464.61 g/mol. Its IUPAC name is 4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine
PubChem CID2739885
Molecular FormulaC16H20N2O6S4
Molecular Weight464.61 g/mol
Exact Mass464.02
IUPAC Name4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)s1)N1CCOCC1
InChIInChI=1S/C16H20N2O6S4/c19-27(20,17-5-9-23-10-6-17)15-3-1-13(25-15)14-2-4-16(26-14)28(21,22)18-7-11-24-12-8-18/h1-4H,5-12H2
InChIKeyYFCCWAXNQQJRSJ-UHFFFAOYSA-N
XLogP1.52
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine?
The IUPAC name of 4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine (CID 2739885) is 4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine?
The canonical SMILES for 4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine is O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)s1)N1CCOCC1.
What is the InChIKey of 4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine?
The InChIKey is YFCCWAXNQQJRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S4/c19-27(20,17-5-9-23-10-6-17)15-3-1-13(25-15)14-2-4-16(26-14)28(21,22)18-7-11-24-12-8-18/h1-4H,5-12H2.
What are the key properties of 4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine?
4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine has a molecular weight of 464.61 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-morpholin-4-ylsulfonylthiophen-2-yl)thiophen-2-yl]sulfonylmorpholine is sourced from PubChem (CID 2739885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).