3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide

C15H20N6O3S — CID 108566855

IUPAC3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C15H20N6O3S/c1-10-14(11(2)19-18-10)25(23,24)20-12-3-7-21(8-4-12)15(22)13-9-16-5-6-17-13/h5-6,9,12,20H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyLDULGZGQNYTTPN-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.40
Rot. Bonds4

About 3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide (PubChem CID 108566855) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
PubChem CID108566855
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Name3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C15H20N6O3S/c1-10-14(11(2)19-18-10)25(23,24)20-12-3-7-21(8-4-12)15(22)13-9-16-5-6-17-13/h5-6,9,12,20H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyLDULGZGQNYTTPN-UHFFFAOYSA-N
XLogP0.40
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108566860
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566849
4-ethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566859
3,5-dimethyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]-1H-pyrazole-4-sulfonamide
CID 108565223
3,5-dimethyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
CID 108565651
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 108565545
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 165419586
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254
[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 99702778
N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 106550944
3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 108566868

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide (CID 108566855) is 3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of 3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide?
The InChIKey is LDULGZGQNYTTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-10-14(11(2)19-18-10)25(23,24)20-12-3-7-21(8-4-12)15(22)13-9-16-5-6-17-13/h5-6,9,12,20H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 108566855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).