N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide

C17H26N6O2S — CID 110101619

IUPACN,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide
SMILESCC(C)n1nccc1-c1cncc(C2CCCN(S(=O)(=O)N(C)C)C2)n1
InChIInChI=1S/C17H26N6O2S/c1-13(2)23-17(7-8-19-23)16-11-18-10-15(20-16)14-6-5-9-22(12-14)26(24,25)21(3)4/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3
InChIKeyTZVJWPSJVRTACT-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.91
Rot. Bonds5

About N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide

N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide (PubChem CID 110101619) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide
PubChem CID110101619
Molecular FormulaC17H26N6O2S
Molecular Weight378.50 g/mol
Exact Mass378.18
IUPAC NameN,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide
SMILESCC(C)n1nccc1-c1cncc(C2CCCN(S(=O)(=O)N(C)C)C2)n1
InChIInChI=1S/C17H26N6O2S/c1-13(2)23-17(7-8-19-23)16-11-18-10-15(20-16)14-6-5-9-22(12-14)26(24,25)21(3)4/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3
InChIKeyTZVJWPSJVRTACT-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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide (CID 110101619) is N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide is CC(C)n1nccc1-c1cncc(C2CCCN(S(=O)(=O)N(C)C)C2)n1.
What is the InChIKey of N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide?
The InChIKey is TZVJWPSJVRTACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-13(2)23-17(7-8-19-23)16-11-18-10-15(20-16)14-6-5-9-22(12-14)26(24,25)21(3)4/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide?
N,N-dimethyl-3-[6-(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-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 110101619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).