3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine

C9H17N3O2S2 — CID 65271056

IUPAC3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C9H17N3O2S2/c1-9(2,3)7-11-8(15-12-7)10-5-6-16(4,13)14/h5-6H2,1-4H3,(H,10,11,12)
InChIKeyFNDXVFUNPVNGMA-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.29
Rot. Bonds4

About 3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271056) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271056
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C9H17N3O2S2/c1-9(2,3)7-11-8(15-12-7)10-5-6-16(4,13)14/h5-6H2,1-4H3,(H,10,11,12)
InChIKeyFNDXVFUNPVNGMA-UHFFFAOYSA-N
XLogP1.29
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
CID 86801697
2-[[3-(2-Methylpropyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 132351371
3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 164635320
3-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 104952706
N-(2-ethylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105779862
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
N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305041
N-(2-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305154
3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 126822913
1-[2-[[5-(Diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-methyl-3-methylsulfonylguanidine
CID 20537945
methylsulfonyl N-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-N'-methylcarbamimidothioate
CID 154313392

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine (CID 65271056) is 3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine is CC(C)(C)c1nsc(NCCS(C)(=O)=O)n1.
What is the InChIKey of 3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FNDXVFUNPVNGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-9(2,3)7-11-8(15-12-7)10-5-6-16(4,13)14/h5-6H2,1-4H3,(H,10,11,12).
What are the key properties of 3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 263.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).