2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine

C15H18N4O2S — CID 125024782

IUPAC2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine
SMILESCc1cncc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1
InChIInChI=1S/C15H18N4O2S/c1-12-8-17-10-15(18-12)13-4-3-7-19(11-13)22(20,21)14-5-2-6-16-9-14/h2,5-6,8-10,13H,3-4,7,11H2,1H3/t13-/m1/s1
InChIKeyZHWSOELOIZQOEJ-CYBMUJFWSA-N
MW318.40 g/mol
LogP1.75
Rot. Bonds3

About 2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine

2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine (PubChem CID 125024782) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine
PubChem CID125024782
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine
SMILESCc1cncc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1
InChIInChI=1S/C15H18N4O2S/c1-12-8-17-10-15(18-12)13-4-3-7-19(11-13)22(20,21)14-5-2-6-16-9-14/h2,5-6,8-10,13H,3-4,7,11H2,1H3/t13-/m1/s1
InChIKeyZHWSOELOIZQOEJ-CYBMUJFWSA-N
XLogP1.75
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 110257001
1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole
CID 91947112
N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
CID 95828952
4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine
CID 110103731
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine
CID 110259171
2-methyl-4-propan-2-yl-5-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,2,4-triazol-3-one
CID 121117767
3-(3-isocyanatopiperidin-1-yl)sulfonylpyridine
CID 24706355
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
CID 70716561
2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine
CID 95829531

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine (CID 125024782) is 2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine is Cc1cncc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1.
What is the InChIKey of 2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine?
The InChIKey is ZHWSOELOIZQOEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-12-8-17-10-15(18-12)13-4-3-7-19(11-13)22(20,21)14-5-2-6-16-9-14/h2,5-6,8-10,13H,3-4,7,11H2,1H3/t13-/m1/s1.
What are the key properties of 2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine?
2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine has a molecular weight of 318.40 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 125024782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).