(6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C9H10ClN3O3S — CID 103337443

IUPAC(6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1cncc(Cl)n1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H10ClN3O3S/c10-8-6-11-5-7(12-8)9(14)13-1-3-17(15,16)4-2-13/h5-6H,1-4H2
InChIKeyAFHINIKZMFPSSC-UHFFFAOYSA-N
MW275.72 g/mol
LogP0.00
Rot. Bonds1

About (6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 103337443) has the molecular formula C9H10ClN3O3S and a molecular weight of 275.72 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID103337443
Molecular FormulaC9H10ClN3O3S
Molecular Weight275.72 g/mol
Exact Mass275.01
IUPAC Name(6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1cncc(Cl)n1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H10ClN3O3S/c10-8-6-11-5-7(12-8)9(14)13-1-3-17(15,16)4-2-13/h5-6H,1-4H2
InChIKeyAFHINIKZMFPSSC-UHFFFAOYSA-N
XLogP0.00
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.72
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103186798
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459
(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone
CID 103187110
(6-chloropyrazin-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 118279345
(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 106551253
(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 106550918
(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103186815
(6-chloropyrazin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 106550933
(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 106551174
(6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone
CID 146001430
(6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 106551233
bis(6-chloropyrazin-2-yl)methanone
CID 152688598

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 103337443) is (6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is O=C(c1cncc(Cl)n1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is AFHINIKZMFPSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3S/c10-8-6-11-5-7(12-8)9(14)13-1-3-17(15,16)4-2-13/h5-6H,1-4H2.
What are the key properties of (6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 275.72 g/mol, XLogP of 0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 103337443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).