(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone

C9H10ClN3OS — CID 103187110

IUPAC(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1cncc(Cl)n1)N1CCSCC1
InChIInChI=1S/C9H10ClN3OS/c10-8-6-11-5-7(12-8)9(14)13-1-3-15-4-2-13/h5-6H,1-4H2
InChIKeyBFVCKDJXKKCNSO-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.32
Rot. Bonds1

About (6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone

(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone (PubChem CID 103187110) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone
PubChem CID103187110
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1cncc(Cl)n1)N1CCSCC1
InChIInChI=1S/C9H10ClN3OS/c10-8-6-11-5-7(12-8)9(14)13-1-3-15-4-2-13/h5-6H,1-4H2
InChIKeyBFVCKDJXKKCNSO-UHFFFAOYSA-N
XLogP1.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103186798
(6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103337443
(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-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103186918
(6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 106551233
N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 106550944

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone (CID 103187110) is (6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone is O=C(c1cncc(Cl)n1)N1CCSCC1.
What is the InChIKey of (6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is BFVCKDJXKKCNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-8-6-11-5-7(12-8)9(14)13-1-3-15-4-2-13/h5-6H,1-4H2.
What are the key properties of (6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone?
(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 243.72 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 103187110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).