3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide

C6H12N4O2S2 — CID 65268163

IUPAC3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide
SMILESCc1nsc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C6H12N4O2S2/c1-5-9-6(13-10-5)8-3-2-4-14(7,11)12/h2-4H2,1H3,(H2,7,11,12)(H,8,9,10)
InChIKeyVFQDZVOUMQQWTC-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.06
Rot. Bonds5

About 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide

3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide (PubChem CID 65268163) has the molecular formula C6H12N4O2S2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide
PubChem CID65268163
Molecular FormulaC6H12N4O2S2
Molecular Weight236.32 g/mol
Exact Mass236.04
IUPAC Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide
SMILESCc1nsc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C6H12N4O2S2/c1-5-9-6(13-10-5)8-3-2-4-14(7,11)12/h2-4H2,1H3,(H2,7,11,12)(H,8,9,10)
InChIKeyVFQDZVOUMQQWTC-UHFFFAOYSA-N
XLogP-0.06
TPSA97.97 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 ≤ 5-0.06
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

2-[[3-(2-Methylpropyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 132351371
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
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-ethyl-N-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propyl]methanesulfonamide
CID 107304781
N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304786
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1-sulfonamide
CID 107304881
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304992
N-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305041
N-(2-methylsulfinylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305154

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide (CID 65268163) is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide is Cc1nsc(NCCCS(N)(=O)=O)n1.
What is the InChIKey of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide?
The InChIKey is VFQDZVOUMQQWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S2/c1-5-9-6(13-10-5)8-3-2-4-14(7,11)12/h2-4H2,1H3,(H2,7,11,12)(H,8,9,10).
What are the key properties of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide?
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide has a molecular weight of 236.32 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 65268163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).