(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C10H13ClN4O3S — CID 106550918

IUPAC(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C10H13ClN4O3S/c1-19(17,18)15-4-2-14(3-5-15)10(16)8-6-12-7-9(11)13-8/h6-7H,2-5H2,1H3
InChIKeyCEGCUDCBXJOUMW-UHFFFAOYSA-N
MW304.76 g/mol
LogP-0.15
Rot. Bonds2

About (6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 106550918) has the molecular formula C10H13ClN4O3S and a molecular weight of 304.76 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID106550918
Molecular FormulaC10H13ClN4O3S
Molecular Weight304.76 g/mol
Exact Mass304.04
IUPAC Name(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C10H13ClN4O3S/c1-19(17,18)15-4-2-14(3-5-15)10(16)8-6-12-7-9(11)13-8/h6-7H,2-5H2,1H3
InChIKeyCEGCUDCBXJOUMW-UHFFFAOYSA-N
XLogP-0.15
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 5-0.15
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
N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 106550944
(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61042497
(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103186815
(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone
CID 103187110
(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)-[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)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 106551233
(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 106551253
(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 87606299

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 106550918) is (6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cncc(Cl)n2)CC1.
What is the InChIKey of (6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is CEGCUDCBXJOUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3S/c1-19(17,18)15-4-2-14(3-5-15)10(16)8-6-12-7-9(11)13-8/h6-7H,2-5H2,1H3.
What are the key properties of (6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 304.76 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 106550918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).