7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole

C12H15N3O2S2 — CID 1096080

IUPAC7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)c2nsnc12
InChIInChI=1S/C12H15N3O2S2/c1-9-5-6-10(12-11(9)13-18-14-12)19(16,17)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3
InChIKeyWEQHPISCSGRTOA-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.17
Rot. Bonds2

About 7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole

7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole (PubChem CID 1096080) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole
PubChem CID1096080
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC Name7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)c2nsnc12
InChIInChI=1S/C12H15N3O2S2/c1-9-5-6-10(12-11(9)13-18-14-12)19(16,17)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3
InChIKeyWEQHPISCSGRTOA-UHFFFAOYSA-N
XLogP2.17
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The IUPAC name of 7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole (CID 1096080) is 7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The canonical SMILES for 7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole is Cc1ccc(S(=O)(=O)N2CCCCC2)c2nsnc12.
What is the InChIKey of 7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The InChIKey is WEQHPISCSGRTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-9-5-6-10(12-11(9)13-18-14-12)19(16,17)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole has a molecular weight of 297.40 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 1096080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).