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

C12H17N3O2S2 — CID 115361109

IUPAC4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide
SMILESCC1(C)CN=C(Nc2ccc(S(N)(=O)=O)cc2)SC1
InChIInChI=1S/C12H17N3O2S2/c1-12(2)7-14-11(18-8-12)15-9-3-5-10(6-4-9)19(13,16)17/h3-6H,7-8H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyPONJJGBZGKCRFM-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.87
Rot. Bonds2

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

4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide (PubChem CID 115361109) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide
PubChem CID115361109
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide
SMILESCC1(C)CN=C(Nc2ccc(S(N)(=O)=O)cc2)SC1
InChIInChI=1S/C12H17N3O2S2/c1-12(2)7-14-11(18-8-12)15-9-3-5-10(6-4-9)19(13,16)17/h3-6H,7-8H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyPONJJGBZGKCRFM-UHFFFAOYSA-N
XLogP1.87
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 65035993
N-(3,5-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294148
5,5-dimethyl-N-pyridin-3-yl-4,6-dihydro-1,3-thiazin-2-amine
CID 115360982
4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 43439887
4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 83188188
N-(2,6-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361200
4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide
CID 82059643
4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine
CID 64550060
5,5-dimethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 113294118
4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide
CID 170987803
3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 64549640
N-[3-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 116700615

Frequently Asked Questions

What is the IUPAC name of 4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide (CID 115361109) is 4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide is CC1(C)CN=C(Nc2ccc(S(N)(=O)=O)cc2)SC1.
What is the InChIKey of 4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide?
The InChIKey is PONJJGBZGKCRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-12(2)7-14-11(18-8-12)15-9-3-5-10(6-4-9)19(13,16)17/h3-6H,7-8H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide?
4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 115361109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).