N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide

C17H26N6O2S — CID 110102274

IUPACN,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide
SMILESCCCn1cc(-c2cncc(C3CCCN(S(=O)(=O)N(C)C)C3)n2)cn1
InChIInChI=1S/C17H26N6O2S/c1-4-7-22-12-15(9-19-22)17-11-18-10-16(20-17)14-6-5-8-23(13-14)26(24,25)21(2)3/h9-12,14H,4-8,13H2,1-3H3
InChIKeyBIPFYYFVHZILCP-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.74
Rot. Bonds6

About N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide

N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide (PubChem CID 110102274) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide
PubChem CID110102274
Molecular FormulaC17H26N6O2S
Molecular Weight378.50 g/mol
Exact Mass378.18
IUPAC NameN,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide
SMILESCCCn1cc(-c2cncc(C3CCCN(S(=O)(=O)N(C)C)C3)n2)cn1
InChIInChI=1S/C17H26N6O2S/c1-4-7-22-12-15(9-19-22)17-11-18-10-16(20-17)14-6-5-8-23(13-14)26(24,25)21(2)3/h9-12,14H,4-8,13H2,1-3H3
InChIKeyBIPFYYFVHZILCP-UHFFFAOYSA-N
XLogP1.74
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.74
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-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide (CID 110102274) is N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide is CCCn1cc(-c2cncc(C3CCCN(S(=O)(=O)N(C)C)C3)n2)cn1.
What is the InChIKey of N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide?
The InChIKey is BIPFYYFVHZILCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-4-7-22-12-15(9-19-22)17-11-18-10-16(20-17)14-6-5-8-23(13-14)26(24,25)21(2)3/h9-12,14H,4-8,13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide?
N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.74, 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-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 110102274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).