5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine

C5H9N3O2S2 — CID 11970600

IUPAC5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCS(=O)(=O)c1nnc(NC)s1
InChIInChI=1S/C5H9N3O2S2/c1-3-12(9,10)5-8-7-4(6-2)11-5/h3H2,1-2H3,(H,6,7)
InChIKeyISONFYGBTNNSIJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.37
Rot. Bonds3

About 5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine

5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 11970600) has the molecular formula C5H9N3O2S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID11970600
Molecular FormulaC5H9N3O2S2
Molecular Weight207.28 g/mol
Exact Mass207.01
IUPAC Name5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCS(=O)(=O)c1nnc(NC)s1
InChIInChI=1S/C5H9N3O2S2/c1-3-12(9,10)5-8-7-4(6-2)11-5/h3H2,1-2H3,(H,6,7)
InChIKeyISONFYGBTNNSIJ-UHFFFAOYSA-N
XLogP0.37
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-Ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,1-dimethylurea
CID 4413079
5-(Ethylthio)-N-methyl-1,3,4-thiadiazol-2-amine
CID 6453071
5-(2-methylsulfonylethylsulfanyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48915077
5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 127002287
5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 130683326
1-(5-Ethylsulfonyl-1,3,4-thiadiazol-2-yl)-3-methylurea
CID 13650792
5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 21492385
2-Methylsulfonyl-5-methylamino-1,3,4-thiadiazole
CID 21544989
(5-Ethylsulfonyl-1,3,4-thiadiazol-2-yl)urea
CID 154165967
5-(2-methylsulfonylethylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 47115226
N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 47119669
5-ethylsulfonyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 48967746

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine (CID 11970600) is 5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine is CCS(=O)(=O)c1nnc(NC)s1.
What is the InChIKey of 5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ISONFYGBTNNSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S2/c1-3-12(9,10)5-8-7-4(6-2)11-5/h3H2,1-2H3,(H,6,7).
What are the key properties of 5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine?
5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 207.28 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 11970600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).