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

C7H14N4O2S2 — CID 65271504

IUPACN-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
SMILESCCc1nsc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C7H14N4O2S2/c1-3-6-10-7(14-11-6)8-4-5-9-15(2,12)13/h9H,3-5H2,1-2H3,(H,8,10,11)
InChIKeyNALCBSDVKOESOM-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.06
Rot. Bonds6

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

N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide (PubChem CID 65271504) has the molecular formula C7H14N4O2S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
PubChem CID65271504
Molecular FormulaC7H14N4O2S2
Molecular Weight250.35 g/mol
Exact Mass250.06
IUPAC NameN-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
SMILESCCc1nsc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C7H14N4O2S2/c1-3-6-10-7(14-11-6)8-4-5-9-15(2,12)13/h9H,3-5H2,1-2H3,(H,8,10,11)
InChIKeyNALCBSDVKOESOM-UHFFFAOYSA-N
XLogP0.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 127651664
2-[[3-(2-Methylpropyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 132351371
N-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
CID 107304781
N-[2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-yl]methanesulfonamide
CID 107304962
N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
CID 107385501
N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]methanesulfonamide
CID 113943923
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
N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
CID 65268208
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 N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide (CID 65271504) is N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide is CCc1nsc(NCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide?
The InChIKey is NALCBSDVKOESOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S2/c1-3-6-10-7(14-11-6)8-4-5-9-15(2,12)13/h9H,3-5H2,1-2H3,(H,8,10,11).
What are the key properties of N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide?
N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide has a molecular weight of 250.35 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 65271504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).