N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine

C6H11N3O2S2 — CID 65269210

IUPACN-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CS(C)(=O)=O)ns1
InChIInChI=1S/C6H11N3O2S2/c1-3-7-6-8-5(9-12-6)4-13(2,10)11/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyCPSBQBXJWGREKI-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.51
Rot. Bonds4

About N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine

N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65269210) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65269210
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC NameN-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CS(C)(=O)=O)ns1
InChIInChI=1S/C6H11N3O2S2/c1-3-7-6-8-5(9-12-6)4-13(2,10)11/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyCPSBQBXJWGREKI-UHFFFAOYSA-N
XLogP0.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(2-Methylpropyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 132351371
3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103894459
N-(2-ethylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105779862
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 106337790
N,N-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 106338946
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 107304722
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304751
N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304786
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1-sulfonamide
CID 107304881
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304992
N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305041
N-(2-methylsulfinylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305149

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine (CID 65269210) is N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine is CCNc1nc(CS(C)(=O)=O)ns1.
What is the InChIKey of N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CPSBQBXJWGREKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-3-7-6-8-5(9-12-6)4-13(2,10)11/h3-4H2,1-2H3,(H,7,8,9).
What are the key properties of N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 221.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).