2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine

C11H16ClN3O2S — CID 95804526

IUPAC2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
SMILESCS(=O)(=O)N1CCC[C@@H](Cc2cncc(Cl)n2)C1
InChIInChI=1S/C11H16ClN3O2S/c1-18(16,17)15-4-2-3-9(8-15)5-10-6-13-7-11(12)14-10/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1
InChIKeyUCHRILDXEDYYQX-VIFPVBQESA-N
MW289.79 g/mol
LogP1.34
Rot. Bonds3

About 2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine

2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine (PubChem CID 95804526) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
PubChem CID95804526
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
SMILESCS(=O)(=O)N1CCC[C@@H](Cc2cncc(Cl)n2)C1
InChIInChI=1S/C11H16ClN3O2S/c1-18(16,17)15-4-2-3-9(8-15)5-10-6-13-7-11(12)14-10/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1
InChIKeyUCHRILDXEDYYQX-VIFPVBQESA-N
XLogP1.34
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
2-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1H-pyrazol-4-yl)pyrazine
CID 124945514
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124972197
2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124938808
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 124977978
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine
CID 124998163
2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole
CID 125020252
4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 175661913
2-chloro-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804524
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine
CID 110257244
(4R)-4-[(6-chloropyrimidin-4-yl)methyl]-1-methylsulfonylazepane
CID 95804540

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine?
The IUPAC name of 2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine (CID 95804526) is 2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine.
What is the SMILES notation for 2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine?
The canonical SMILES for 2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine is CS(=O)(=O)N1CCC[C@@H](Cc2cncc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine?
The InChIKey is UCHRILDXEDYYQX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-18(16,17)15-4-2-3-9(8-15)5-10-6-13-7-11(12)14-10/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1.
What are the key properties of 2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine?
2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine has a molecular weight of 289.79 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine is sourced from PubChem (CID 95804526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).