N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide

C6H9F3N4O2S2 — CID 106337878

IUPACN-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H9F3N4O2S2/c1-10-17(14,15)3-2-11-5-13-12-4(16-5)6(7,8)9/h10H,2-3H2,1H3,(H,11,13)
InChIKeyDZNMCRGTVDMHBS-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.52
Rot. Bonds5

About N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide

N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide (PubChem CID 106337878) has the molecular formula C6H9F3N4O2S2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
PubChem CID106337878
Molecular FormulaC6H9F3N4O2S2
Molecular Weight290.29 g/mol
Exact Mass290.01
IUPAC NameN-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H9F3N4O2S2/c1-10-17(14,15)3-2-11-5-13-12-4(16-5)6(7,8)9/h10H,2-3H2,1H3,(H,11,13)
InChIKeyDZNMCRGTVDMHBS-UHFFFAOYSA-N
XLogP0.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide (CID 106337878) is N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide is CNS(=O)(=O)CCNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide?
The InChIKey is DZNMCRGTVDMHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O2S2/c1-10-17(14,15)3-2-11-5-13-12-4(16-5)6(7,8)9/h10H,2-3H2,1H3,(H,11,13).
What are the key properties of N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide?
N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide has a molecular weight of 290.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106337878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).