4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide

C11H15N3O2S2 — CID 65035993

IUPAC4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
SMILESCC1CN=C(Nc2ccc(S(N)(=O)=O)cc2)SC1
InChIInChI=1S/C11H15N3O2S2/c1-8-6-13-11(17-7-8)14-9-2-4-10(5-3-9)18(12,15)16/h2-5,8H,6-7H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyXJJKAIYMYYGJKY-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.48
Rot. Bonds2

About 4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide

4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide (PubChem CID 65035993) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
PubChem CID65035993
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
SMILESCC1CN=C(Nc2ccc(S(N)(=O)=O)cc2)SC1
InChIInChI=1S/C11H15N3O2S2/c1-8-6-13-11(17-7-8)14-9-2-4-10(5-3-9)18(12,15)16/h2-5,8H,6-7H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyXJJKAIYMYYGJKY-UHFFFAOYSA-N
XLogP1.48
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide (CID 65035993) is 4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide is CC1CN=C(Nc2ccc(S(N)(=O)=O)cc2)SC1.
What is the InChIKey of 4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide?
The InChIKey is XJJKAIYMYYGJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-8-6-13-11(17-7-8)14-9-2-4-10(5-3-9)18(12,15)16/h2-5,8H,6-7H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide?
4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 65035993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).