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

C11H15N3O2S2 — CID 83188188

IUPAC4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
SMILESCC1CCSC(Nc2ccc(S(N)(=O)=O)cc2)=N1
InChIInChI=1S/C11H15N3O2S2/c1-8-6-7-17-11(13-8)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)
InChIKeyISKYECVMUMKIOT-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.63
Rot. Bonds2

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

4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide (PubChem CID 83188188) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
PubChem CID83188188
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
SMILESCC1CCSC(Nc2ccc(S(N)(=O)=O)cc2)=N1
InChIInChI=1S/C11H15N3O2S2/c1-8-6-7-17-11(13-8)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)
InChIKeyISKYECVMUMKIOT-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 43439887
N-(4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187370
1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone
CID 83188479
4-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186701
4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 65035993
4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 115361109
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187231
N-(3-ethylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187098
4-methyl-N-quinolin-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186589
N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187669
4-[(2-methylthian-3-yl)amino]benzenesulfonamide
CID 79956808
4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186722

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide (CID 83188188) is 4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide is CC1CCSC(Nc2ccc(S(N)(=O)=O)cc2)=N1.
What is the InChIKey of 4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide?
The InChIKey is ISKYECVMUMKIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-8-6-7-17-11(13-8)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-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide?
4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 83188188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).