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

C10H14ClN3O2S — CID 124938808

IUPAC2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCS(=O)(=O)N1CCC[C@@H](c2cncc(Cl)n2)C1
InChIInChI=1S/C10H14ClN3O2S/c1-17(15,16)14-4-2-3-8(7-14)9-5-12-6-10(11)13-9/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyQQMQHSVRPWCASQ-MRVPVSSYSA-N
MW275.76 g/mol
LogP1.27
Rot. Bonds2

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

2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine (PubChem CID 124938808) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
PubChem CID124938808
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCS(=O)(=O)N1CCC[C@@H](c2cncc(Cl)n2)C1
InChIInChI=1S/C10H14ClN3O2S/c1-17(15,16)14-4-2-3-8(7-14)9-5-12-6-10(11)13-9/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyQQMQHSVRPWCASQ-MRVPVSSYSA-N
XLogP1.27
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 125005344
4-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]benzoic acid
CID 110112232
5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
CID 125012790
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine
CID 95822186
2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804526
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 110252905
2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125020173
6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110252903
3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine
CID 110096967
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrazine
CID 124973464
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276
N,N-dimethyl-3-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 110257001

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine (CID 124938808) is 2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine is CS(=O)(=O)N1CCC[C@@H](c2cncc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The InChIKey is QQMQHSVRPWCASQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-17(15,16)14-4-2-3-8(7-14)9-5-12-6-10(11)13-9/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of 2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine?
2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine has a molecular weight of 275.76 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 124938808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).