4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine

C8H9Br2NO2S3 — CID 2740059

IUPAC4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine
SMILESO=S(=O)(c1sc(Br)cc1Br)N1CCSCC1
InChIInChI=1S/C8H9Br2NO2S3/c9-6-5-7(10)15-8(6)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2
InChIKeyWZNGEJLSFDYQNJ-UHFFFAOYSA-N
MW407.17 g/mol
LogP3.01
Rot. Bonds2

About 4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine

4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine (PubChem CID 2740059) has the molecular formula C8H9Br2NO2S3 and a molecular weight of 407.17 g/mol. Its IUPAC name is 4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine
PubChem CID2740059
Molecular FormulaC8H9Br2NO2S3
Molecular Weight407.17 g/mol
Exact Mass404.82
IUPAC Name4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine
SMILESO=S(=O)(c1sc(Br)cc1Br)N1CCSCC1
InChIInChI=1S/C8H9Br2NO2S3/c9-6-5-7(10)15-8(6)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2
InChIKeyWZNGEJLSFDYQNJ-UHFFFAOYSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.17
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine?
The IUPAC name of 4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine (CID 2740059) is 4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine?
The canonical SMILES for 4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine is O=S(=O)(c1sc(Br)cc1Br)N1CCSCC1.
What is the InChIKey of 4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine?
The InChIKey is WZNGEJLSFDYQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO2S3/c9-6-5-7(10)15-8(6)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2.
What are the key properties of 4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine?
4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine has a molecular weight of 407.17 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dibromothiophen-2-yl)sulfonylthiomorpholine is sourced from PubChem (CID 2740059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).