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

C8H9Cl2NO2S3 — CID 3344391

IUPAC4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCSCC1
InChIInChI=1S/C8H9Cl2NO2S3/c9-7-5-6(8(10)15-7)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2
InChIKeyQYFAVMOOMJPNSL-UHFFFAOYSA-N
MW318.27 g/mol
LogP2.79
Rot. Bonds2

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

4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine (PubChem CID 3344391) has the molecular formula C8H9Cl2NO2S3 and a molecular weight of 318.27 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine
PubChem CID3344391
Molecular FormulaC8H9Cl2NO2S3
Molecular Weight318.27 g/mol
Exact Mass316.92
IUPAC Name4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCSCC1
InChIInChI=1S/C8H9Cl2NO2S3/c9-7-5-6(8(10)15-7)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2
InChIKeyQYFAVMOOMJPNSL-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-Chloro-2-thienyl)sulfonyl]-4-methylpiperazine
CID 778335
2-Chloro-5-(piperidylsulfonyl)thiophene
CID 1541659
1-[(5-Chlorothien-2-yl)sulfonyl]piperazine
CID 3863656
1-[(2,5-Dichloro-3-thienyl)sulfonyl]pyrrolidine
CID 2805365
1-(5-Chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6465014
1-[(5-Chlorothiophen-2-yl)sulfonyl]piperazine hydrochloride
CID 53444390
1-Butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 6464993
3-[4-(5-Chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 9304441
4-(4-Bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine
CID 2741062
1-(5-Chlorothiophen-2-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 6465609
1-(2,5-Dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine
CID 78797712
1-(5-Chlorothiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 49720678

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine (CID 3344391) is 4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine is O=S(=O)(c1cc(Cl)sc1Cl)N1CCSCC1.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine?
The InChIKey is QYFAVMOOMJPNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S3/c9-7-5-6(8(10)15-7)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine?
4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine has a molecular weight of 318.27 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)sulfonylthiomorpholine is sourced from PubChem (CID 3344391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).