N,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide

C17H26N6O2S — CID 110101767

IUPACN,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide
SMILESCC(C)n1nccc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1
InChIInChI=1S/C17H26N6O2S/c1-13(2)23-17(5-8-20-23)16-12-18-15(11-19-16)14-6-9-22(10-7-14)26(24,25)21(3)4/h5,8,11-14H,6-7,9-10H2,1-4H3
InChIKeyYJFDIULVDVPISD-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.91
Rot. Bonds5

About N,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide

N,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide (PubChem CID 110101767) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide
PubChem CID110101767
Molecular FormulaC17H26N6O2S
Molecular Weight378.50 g/mol
Exact Mass378.18
IUPAC NameN,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide
SMILESCC(C)n1nccc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1
InChIInChI=1S/C17H26N6O2S/c1-13(2)23-17(5-8-20-23)16-12-18-15(11-19-16)14-6-9-22(10-7-14)26(24,25)21(3)4/h5,8,11-14H,6-7,9-10H2,1-4H3
InChIKeyYJFDIULVDVPISD-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.91
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-(2-methylpyrazol-3-yl)-5-(1-methylsulfonylpiperidin-4-yl)pyrazine
CID 110101757
N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110101619
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110158985
N,N-dimethyl-4-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 155983374
N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 110101531
N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
CID 110101200
2-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124957097
N,N-dimethyl-4-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 95845148
4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 110102022
4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 125005949
1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
CID 110101819

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide (CID 110101767) is N,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide is CC(C)n1nccc1-c1cnc(C2CCN(S(=O)(=O)N(C)C)CC2)cn1.
What is the InChIKey of N,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide?
The InChIKey is YJFDIULVDVPISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-13(2)23-17(5-8-20-23)16-12-18-15(11-19-16)14-6-9-22(10-7-14)26(24,25)21(3)4/h5,8,11-14H,6-7,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide?
N,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 110101767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).