N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide

C11H15ClN4O3S — CID 106550944

IUPACN-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C11H15ClN4O3S/c1-20(18,19)15-8-2-4-16(5-3-8)11(17)9-6-13-7-10(12)14-9/h6-8,15H,2-5H2,1H3
InChIKeyPDLWARFJMDXRRE-UHFFFAOYSA-N
MW318.79 g/mol
LogP0.28
Rot. Bonds3

About N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide

N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 106550944) has the molecular formula C11H15ClN4O3S and a molecular weight of 318.79 g/mol. Its IUPAC name is N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID106550944
Molecular FormulaC11H15ClN4O3S
Molecular Weight318.79 g/mol
Exact Mass318.06
IUPAC NameN-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C11H15ClN4O3S/c1-20(18,19)15-8-2-4-16(5-3-8)11(17)9-6-13-7-10(12)14-9/h6-8,15H,2-5H2,1H3
InChIKeyPDLWARFJMDXRRE-UHFFFAOYSA-N
XLogP0.28
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 106550918
(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 106551174
1-[4-(6-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103186798
N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 91829899
(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
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108567177
N-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 66388122
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108564444
N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide
CID 72890935

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide (CID 106550944) is N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)c2cncc(Cl)n2)CC1.
What is the InChIKey of N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is PDLWARFJMDXRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3S/c1-20(18,19)15-8-2-4-16(5-3-8)11(17)9-6-13-7-10(12)14-9/h6-8,15H,2-5H2,1H3.
What are the key properties of N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide?
N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 318.79 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 106550944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).