N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide

C18H28N6O2S — CID 110101531

IUPACN,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
SMILESCC(C)n1nccc1-c1nccnc1CC1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C18H28N6O2S/c1-14(2)24-17(7-8-21-24)18-16(19-9-10-20-18)12-15-6-5-11-23(13-15)27(25,26)22(3)4/h7-10,14-15H,5-6,11-13H2,1-4H3
InChIKeyJESXAEJCICQMMI-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.98
Rot. Bonds6

About N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide

N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide (PubChem CID 110101531) has the molecular formula C18H28N6O2S and a molecular weight of 392.53 g/mol. Its IUPAC name is N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
PubChem CID110101531
Molecular FormulaC18H28N6O2S
Molecular Weight392.53 g/mol
Exact Mass392.20
IUPAC NameN,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
SMILESCC(C)n1nccc1-c1nccnc1CC1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C18H28N6O2S/c1-14(2)24-17(7-8-21-24)18-16(19-9-10-20-18)12-15-6-5-11-23(13-15)27(25,26)22(3)4/h7-10,14-15H,5-6,11-13H2,1-4H3
InChIKeyJESXAEJCICQMMI-UHFFFAOYSA-N
XLogP1.98
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-4-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 110101741
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101514
(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 125014655
2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 110101653
(3R)-N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124970696
2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride
CID 171687287
(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125010419
4-[3-[[(3S)-1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 125009289
N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110101619
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 124977978
3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-diethylpiperidine-1-sulfonamide
CID 110113337
3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110101583

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide (CID 110101531) is N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide is CC(C)n1nccc1-c1nccnc1CC1CCCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide?
The InChIKey is JESXAEJCICQMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S/c1-14(2)24-17(7-8-21-24)18-16(19-9-10-20-18)12-15-6-5-11-23(13-15)27(25,26)22(3)4/h7-10,14-15H,5-6,11-13H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide?
N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide has a molecular weight of 392.53 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 110101531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).