4-methyl-5-[(sulfamoylamino)methyl]thiadiazole

C4H8N4O2S2 — CID 131110582

IUPAC4-methyl-5-[(sulfamoylamino)methyl]thiadiazole
SMILESCc1nnsc1CNS(N)(=O)=O
InChIInChI=1S/C4H8N4O2S2/c1-3-4(11-8-7-3)2-6-12(5,9)10/h6H,2H2,1H3,(H2,5,9,10)
InChIKeyQIZHEMSTZHBJFW-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.86
Rot. Bonds3

About 4-methyl-5-[(sulfamoylamino)methyl]thiadiazole

4-methyl-5-[(sulfamoylamino)methyl]thiadiazole (PubChem CID 131110582) has the molecular formula C4H8N4O2S2 and a molecular weight of 208.27 g/mol. Its IUPAC name is 4-methyl-5-[(sulfamoylamino)methyl]thiadiazole.

Molecular Properties

Compound Name4-methyl-5-[(sulfamoylamino)methyl]thiadiazole
PubChem CID131110582
Molecular FormulaC4H8N4O2S2
Molecular Weight208.27 g/mol
Exact Mass208.01
IUPAC Name4-methyl-5-[(sulfamoylamino)methyl]thiadiazole
SMILESCc1nnsc1CNS(N)(=O)=O
InChIInChI=1S/C4H8N4O2S2/c1-3-4(11-8-7-3)2-6-12(5,9)10/h6H,2H2,1H3,(H2,5,9,10)
InChIKeyQIZHEMSTZHBJFW-UHFFFAOYSA-N
XLogP-0.86
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(sulfamoylamino)methyl]thiadiazole?
The IUPAC name of 4-methyl-5-[(sulfamoylamino)methyl]thiadiazole (CID 131110582) is 4-methyl-5-[(sulfamoylamino)methyl]thiadiazole.
What is the SMILES notation for 4-methyl-5-[(sulfamoylamino)methyl]thiadiazole?
The canonical SMILES for 4-methyl-5-[(sulfamoylamino)methyl]thiadiazole is Cc1nnsc1CNS(N)(=O)=O.
What is the InChIKey of 4-methyl-5-[(sulfamoylamino)methyl]thiadiazole?
The InChIKey is QIZHEMSTZHBJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2S2/c1-3-4(11-8-7-3)2-6-12(5,9)10/h6H,2H2,1H3,(H2,5,9,10).
What are the key properties of 4-methyl-5-[(sulfamoylamino)methyl]thiadiazole?
4-methyl-5-[(sulfamoylamino)methyl]thiadiazole has a molecular weight of 208.27 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(sulfamoylamino)methyl]thiadiazole is sourced from PubChem (CID 131110582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).