2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide

C8H16N4O2S2 — CID 65271505

IUPAC2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
SMILESCC(C)(C)c1nsc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C8H16N4O2S2/c1-8(2,3)6-11-7(15-12-6)10-4-5-16(9,13)14/h4-5H2,1-3H3,(H2,9,13,14)(H,10,11,12)
InChIKeyDCHOKLDNZRZDSI-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.54
Rot. Bonds4

About 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide (PubChem CID 65271505) has the molecular formula C8H16N4O2S2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
PubChem CID65271505
Molecular FormulaC8H16N4O2S2
Molecular Weight264.38 g/mol
Exact Mass264.07
IUPAC Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
SMILESCC(C)(C)c1nsc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C8H16N4O2S2/c1-8(2,3)6-11-7(15-12-6)10-4-5-16(9,13)14/h4-5H2,1-3H3,(H2,9,13,14)(H,10,11,12)
InChIKeyDCHOKLDNZRZDSI-UHFFFAOYSA-N
XLogP0.54
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.54
H-Bond Donors ≤ 52
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
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
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1-sulfonamide
CID 107304881
N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305041
N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 114175379
3-methyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
CID 65267745
3-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide
CID 65268163
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
CID 65268209
N-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
CID 65268212
N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268232

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide (CID 65271505) is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide is CC(C)(C)c1nsc(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The InChIKey is DCHOKLDNZRZDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S2/c1-8(2,3)6-11-7(15-12-6)10-4-5-16(9,13)14/h4-5H2,1-3H3,(H2,9,13,14)(H,10,11,12).
What are the key properties of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide has a molecular weight of 264.38 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide is sourced from PubChem (CID 65271505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).