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

C10H11BrN2O3S — CID 103755134

IUPAC(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccnc(Br)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H11BrN2O3S/c11-9-7-8(1-2-12-9)10(14)13-3-5-17(15,16)6-4-13/h1-2,7H,3-6H2
InChIKeyLDBJWPLTSZXQCF-UHFFFAOYSA-N
MW319.18 g/mol
LogP0.71
Rot. Bonds1

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

(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 103755134) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is (2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID103755134
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccnc(Br)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H11BrN2O3S/c11-9-7-8(1-2-12-9)10(14)13-3-5-17(15,16)6-4-13/h1-2,7H,3-6H2
InChIKeyLDBJWPLTSZXQCF-UHFFFAOYSA-N
XLogP0.71
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-azaspiro[4.5]decan-8-yl-(2-bromo-4-pyridinyl)methanone
CID 103755510
(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 103752322
(2-bromo-4-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103754389
(3-bromo-4-methylphenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79458140
(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103707270
(2-bromo-4-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 103754999
[4-bromo-3-(trifluoromethyl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 81449740
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
(5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43647141
(2-bromo-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103754387
4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 103755533
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 103755134) is (2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is O=C(c1ccnc(Br)c1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is LDBJWPLTSZXQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c11-9-7-8(1-2-12-9)10(14)13-3-5-17(15,16)6-4-13/h1-2,7H,3-6H2.
What are the key properties of (2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 319.18 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 103755134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).