(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone

C9H11N3O3S — CID 110743459

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H11N3O3S/c13-9(8-7-10-1-2-11-8)12-3-5-16(14,15)6-4-12/h1-2,7H,3-6H2
InChIKeyBKEJLDFYVZFFTF-UHFFFAOYSA-N
MW241.27 g/mol
LogP-0.65
Rot. Bonds1

About (1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone

(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone (PubChem CID 110743459) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
PubChem CID110743459
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H11N3O3S/c13-9(8-7-10-1-2-11-8)12-3-5-16(14,15)6-4-12/h1-2,7H,3-6H2
InChIKeyBKEJLDFYVZFFTF-UHFFFAOYSA-N
XLogP-0.65
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103337443
(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743458
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one
CID 62046605
[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 115304614
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 66203494
1-[7-(pyrazine-2-carbonyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412790
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108536947
[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 110816131

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone (CID 110743459) is (1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone?
The InChIKey is BKEJLDFYVZFFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-9(8-7-10-1-2-11-8)12-3-5-16(14,15)6-4-12/h1-2,7H,3-6H2.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone has a molecular weight of 241.27 g/mol, XLogP of -0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 110743459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).