3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol

C9H11NOS — CID 19697816

IUPAC3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol
SMILESOCC1CNc2ccccc2S1
InChIInChI=1S/C9H11NOS/c11-6-7-5-10-8-3-1-2-4-9(8)12-7/h1-4,7,10-11H,5-6H2
InChIKeyKEBRFYLFLLNMBB-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.57
Rot. Bonds1

About 3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol

3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol (PubChem CID 19697816) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol
PubChem CID19697816
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol
SMILESOCC1CNc2ccccc2S1
InChIInChI=1S/C9H11NOS/c11-6-7-5-10-8-3-1-2-4-9(8)12-7/h1-4,7,10-11H,5-6H2
InChIKeyKEBRFYLFLLNMBB-UHFFFAOYSA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate
CID 8564769
2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 13071524
(2R,3R,4S,4aS,10aR)-2-(hydroxymethyl)-2,3,4,4a,10,10a-hexahydropyrano[3,2-b][1,4]benzothiazine-3,4-diol
CID 152760961
7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84636914
(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
CID 92543565
2,2-dimethyl-4,5-dihydro-3H-1,5-benzothiazepin-3-amine
CID 90037239
2-(2-ethyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87548153
3-(hydroxymethyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 12878963
2-[(3-benzyl-4,5-dihydro-3H-1,2,5-benzothiadiazepin-2-yl)oxy]acetamide
CID 69125329
(1R,2S,3S)-1-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]butane-1,2,3,4-tetrol
CID 6932553
2-methyl-4H-1,4-benzothiazine-3-thione
CID 84614586
bis(2,3-dihydro-1,3-benzothiazol-2-yl)methanethione
CID 175478062

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol?
The IUPAC name of 3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol (CID 19697816) is 3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol is OCC1CNc2ccccc2S1.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol?
The InChIKey is KEBRFYLFLLNMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-6-7-5-10-8-3-1-2-4-9(8)12-7/h1-4,7,10-11H,5-6H2.
What are the key properties of 3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol?
3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol has a molecular weight of 181.26 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzothiazin-2-ylmethanol is sourced from PubChem (CID 19697816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).