3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

C16H24N6O2S — CID 110102185

IUPAC3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCn1cc(-c2nccnc2C2CCCN(S(=O)(=O)N(C)C)C2)cn1
InChIInChI=1S/C16H24N6O2S/c1-4-21-11-14(10-19-21)16-15(17-7-8-18-16)13-6-5-9-22(12-13)25(23,24)20(2)3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKeyRKYLOODJAKHMQS-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.35
Rot. Bonds5

About 3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 110102185) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID110102185
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCn1cc(-c2nccnc2C2CCCN(S(=O)(=O)N(C)C)C2)cn1
InChIInChI=1S/C16H24N6O2S/c1-4-21-11-14(10-19-21)16-15(17-7-8-18-16)13-6-5-9-22(12-13)25(23,24)20(2)3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKeyRKYLOODJAKHMQS-UHFFFAOYSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine
CID 124972911
3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110254997
(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95819020
(3R)-3-(3-chloropyrazin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 95829502
N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide
CID 110255003
N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110102274
3-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819022
2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124994871
2-(1-ethylpyrazol-4-yl)-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 127246053
2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125020173
N,N-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110095318
(3R)-N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124970696

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (CID 110102185) is 3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is CCn1cc(-c2nccnc2C2CCCN(S(=O)(=O)N(C)C)C2)cn1.
What is the InChIKey of 3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is RKYLOODJAKHMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-4-21-11-14(10-19-21)16-15(17-7-8-18-16)13-6-5-9-22(12-13)25(23,24)20(2)3/h7-8,10-11,13H,4-6,9,12H2,1-3H3.
What are the key properties of 3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 364.48 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 110102185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).