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

C6H12N4O2S2 — CID 65268208

IUPACN-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
SMILESCc1nsc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C6H12N4O2S2/c1-5-9-6(13-10-5)7-3-4-8-14(2,11)12/h8H,3-4H2,1-2H3,(H,7,9,10)
InChIKeyRYBCITWSZLDHPM-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.19
Rot. Bonds5

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

N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide (PubChem CID 65268208) has the molecular formula C6H12N4O2S2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
PubChem CID65268208
Molecular FormulaC6H12N4O2S2
Molecular Weight236.32 g/mol
Exact Mass236.04
IUPAC NameN-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
SMILESCc1nsc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C6H12N4O2S2/c1-5-9-6(13-10-5)7-3-4-8-14(2,11)12/h8H,3-4H2,1-2H3,(H,7,9,10)
InChIKeyRYBCITWSZLDHPM-UHFFFAOYSA-N
XLogP-0.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.19
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

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-[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
N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 114175379
N1-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
3-methyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
CID 65267745
N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267794
N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267852
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide (CID 65268208) is N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide is Cc1nsc(NCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide?
The InChIKey is RYBCITWSZLDHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S2/c1-5-9-6(13-10-5)7-3-4-8-14(2,11)12/h8H,3-4H2,1-2H3,(H,7,9,10).
What are the key properties of N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide?
N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide has a molecular weight of 236.32 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 65268208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).