5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine

C8H14N4O2S3 — CID 66376042

IUPAC5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
SMILESCCS(=O)(=O)C1CSCCN1c1nc(N)ns1
InChIInChI=1S/C8H14N4O2S3/c1-2-17(13,14)6-5-15-4-3-12(6)8-10-7(9)11-16-8/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyQTGXDCJTBMKYRT-UHFFFAOYSA-N
MW294.43 g/mol
LogP0.43
Rot. Bonds3

About 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine

5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66376042) has the molecular formula C8H14N4O2S3 and a molecular weight of 294.43 g/mol. Its IUPAC name is 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66376042
Molecular FormulaC8H14N4O2S3
Molecular Weight294.43 g/mol
Exact Mass294.03
IUPAC Name5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
SMILESCCS(=O)(=O)C1CSCCN1c1nc(N)ns1
InChIInChI=1S/C8H14N4O2S3/c1-2-17(13,14)6-5-15-4-3-12(6)8-10-7(9)11-16-8/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyQTGXDCJTBMKYRT-UHFFFAOYSA-N
XLogP0.43
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-Methanesulfonyl-[1,2,4]-thiadiazol-5-yl)piperazine
CID 68532082
3-Methylsulfinyl-5-thiomorpholino-1,2,4-thiadiazole
CID 69217583
3-Methylsulfonyl-5-thiomorpholino-1,2,4-thiadiazole
CID 69219894
5-(1,1-Dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
CID 66278356
5-(1-Oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
CID 66279457
5-(3-Methylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
CID 66384638
5-(4-Cyclopropylsulfonylpiperazin-1-yl)-1,2,4-thiadiazol-3-amine
CID 71846644
5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine
CID 79864551
N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80882410
2-N,2-N-diethyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazine-2,4-diamine
CID 80882628
4-(2-Methylsulfonylethylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80883525
5-(3-Methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
CID 102887535

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine (CID 66376042) is 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine is CCS(=O)(=O)C1CSCCN1c1nc(N)ns1.
What is the InChIKey of 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is QTGXDCJTBMKYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S3/c1-2-17(13,14)6-5-15-4-3-12(6)8-10-7(9)11-16-8/h6H,2-5H2,1H3,(H2,9,11).
What are the key properties of 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine?
5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 294.43 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66376042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).