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

C11H15N3O2S2 — CID 29068145

IUPAC4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNC2=NCCCS2)cc1
InChIInChI=1S/C11H15N3O2S2/c12-18(15,16)10-4-2-9(3-5-10)8-14-11-13-6-1-7-17-11/h2-5H,1,6-8H2,(H,13,14)(H2,12,15,16)
InChIKeyGTORTNRAWJLEJJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.92
Rot. Bonds3

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

4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide (PubChem CID 29068145) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide
PubChem CID29068145
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNC2=NCCCS2)cc1
InChIInChI=1S/C11H15N3O2S2/c12-18(15,16)10-4-2-9(3-5-10)8-14-11-13-6-1-7-17-11/h2-5H,1,6-8H2,(H,13,14)(H2,12,15,16)
InChIKeyGTORTNRAWJLEJJ-UHFFFAOYSA-N
XLogP0.92
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide
CID 54995967
4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzonitrile
CID 62268458
N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 139763051
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108530246
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
N-[(5-methylthiophen-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62058118
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide
CID 106192567
N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106420088
N-(naphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62368128
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 62735276
4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide
CID 61253359

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide (CID 29068145) is 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNC2=NCCCS2)cc1.
What is the InChIKey of 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is GTORTNRAWJLEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c12-18(15,16)10-4-2-9(3-5-10)8-14-11-13-6-1-7-17-11/h2-5H,1,6-8H2,(H,13,14)(H2,12,15,16).
What are the key properties of 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide?
4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 285.39 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dihydro-4H-1,3-thiazin-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 29068145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).