2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol

C13H20N2O3S — CID 174534760

IUPAC2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol
SMILESOC1c2ccccc2NS(O)(O)C1C1CCNCC1
InChIInChI=1S/C13H20N2O3S/c16-12-10-3-1-2-4-11(10)15-19(17,18)13(12)9-5-7-14-8-6-9/h1-4,9,12-18H,5-8H2
InChIKeyFRVNDUHPVFRRFB-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.18
Rot. Bonds1

About 2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol

2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol (PubChem CID 174534760) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol.

Molecular Properties

Compound Name2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol
PubChem CID174534760
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol
SMILESOC1c2ccccc2NS(O)(O)C1C1CCNCC1
InChIInChI=1S/C13H20N2O3S/c16-12-10-3-1-2-4-11(10)15-19(17,18)13(12)9-5-7-14-8-6-9/h1-4,9,12-18H,5-8H2
InChIKeyFRVNDUHPVFRRFB-UHFFFAOYSA-N
XLogP2.18
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 110225881
3-piperidin-4-yl-2,3-dihydro-1H-indazole
CID 143791959
4-[(1S)-2,3-dihydro-1H-inden-1-yl]piperidine
CID 92981221
2-piperidin-4-yl-3,4-dihydro-2H-chromen-4-ol
CID 126844229
2,2-dioxo-3-piperidin-4-yl-1H-2λ6,1-benzothiazin-4-one
CID 59731866
2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 83261284
3-(1,2-dihydronaphthalen-1-yl)pyrrolidine
CID 19043208
4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine
CID 141155457
2-cyclohexyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165487729
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isoquinoline
CID 54260071
3-(2-methylphenyl)piperidin-4-ol
CID 117168026
1,2,3,4-tetrahydroquinoline-2,4-diol
CID 155578583

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol?
The IUPAC name of 2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol (CID 174534760) is 2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol.
What is the SMILES notation for 2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol?
The canonical SMILES for 2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol is OC1c2ccccc2NS(O)(O)C1C1CCNCC1.
What is the InChIKey of 2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol?
The InChIKey is FRVNDUHPVFRRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-12-10-3-1-2-4-11(10)15-19(17,18)13(12)9-5-7-14-8-6-9/h1-4,9,12-18H,5-8H2.
What are the key properties of 2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol?
2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol has a molecular weight of 284.38 g/mol, XLogP of 2.18, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-3-piperidin-4-yl-3,4-dihydro-1H-2λ4,1-benzothiazin-4-ol is sourced from PubChem (CID 174534760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).