(5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone

C10H13BrN2O3S — CID 68626889

IUPAC(5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc(Br)cn1)N1CCS(O)(O)CC1
InChIInChI=1S/C10H13BrN2O3S/c11-8-1-2-9(12-7-8)10(14)13-3-5-17(15,16)6-4-13/h1-2,7,15-16H,3-6H2
InChIKeyHKKMWTXTOBZMTG-UHFFFAOYSA-N
MW321.20 g/mol
LogP2.05
Rot. Bonds1

About (5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone

(5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone (PubChem CID 68626889) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone
PubChem CID68626889
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name(5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc(Br)cn1)N1CCS(O)(O)CC1
InChIInChI=1S/C10H13BrN2O3S/c11-8-1-2-9(12-7-8)10(14)13-3-5-17(15,16)6-4-13/h1-2,7,15-16H,3-6H2
InChIKeyHKKMWTXTOBZMTG-UHFFFAOYSA-N
XLogP2.05
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone
CID 63161313
(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62953905
2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336421
2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
CID 63337357
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
(5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62952392
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 80666142
(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727006
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-bromo-2-pyridinyl)methanone
CID 81097012
(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070
1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125731
(5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119623323

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone (CID 68626889) is (5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone is O=C(c1ccc(Br)cn1)N1CCS(O)(O)CC1.
What is the InChIKey of (5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone?
The InChIKey is HKKMWTXTOBZMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c11-8-1-2-9(12-7-8)10(14)13-3-5-17(15,16)6-4-13/h1-2,7,15-16H,3-6H2.
What are the key properties of (5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone?
(5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone has a molecular weight of 321.20 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 68626889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).