N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide

C9H15F3N4O2S2 — CID 107304781

IUPACN-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1nc(C(F)(F)F)ns1)S(C)(=O)=O
InChIInChI=1S/C9H15F3N4O2S2/c1-3-16(20(2,17)18)6-4-5-13-8-14-7(15-19-8)9(10,11)12/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyLDOSBKUVGFLVAG-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.64
Rot. Bonds7

About N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide

N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide (PubChem CID 107304781) has the molecular formula C9H15F3N4O2S2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
PubChem CID107304781
Molecular FormulaC9H15F3N4O2S2
Molecular Weight332.37 g/mol
Exact Mass332.06
IUPAC NameN-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1nc(C(F)(F)F)ns1)S(C)(=O)=O
InChIInChI=1S/C9H15F3N4O2S2/c1-3-16(20(2,17)18)6-4-5-13-8-14-7(15-19-8)9(10,11)12/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyLDOSBKUVGFLVAG-UHFFFAOYSA-N
XLogP1.64
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304461
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanethioamide
CID 107304525
N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304577
N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304582
N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304680
N',N'-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304685
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide (CID 107304781) is N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide is CCN(CCCNc1nc(C(F)(F)F)ns1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide?
The InChIKey is LDOSBKUVGFLVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S2/c1-3-16(20(2,17)18)6-4-5-13-8-14-7(15-19-8)9(10,11)12/h3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide has a molecular weight of 332.37 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 107304781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).