1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide

C12H22N4O2S — CID 132970777

IUPAC1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide
SMILESCC(C)n1ccc(CN2CCC(S(N)(=O)=O)CC2)n1
InChIInChI=1S/C12H22N4O2S/c1-10(2)16-8-3-11(14-16)9-15-6-4-12(5-7-15)19(13,17)18/h3,8,10,12H,4-7,9H2,1-2H3,(H2,13,17,18)
InChIKeyLKPUXAORVIVXPY-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.72
Rot. Bonds4

About 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide

1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide (PubChem CID 132970777) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide
PubChem CID132970777
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide
SMILESCC(C)n1ccc(CN2CCC(S(N)(=O)=O)CC2)n1
InChIInChI=1S/C12H22N4O2S/c1-10(2)16-8-3-11(14-16)9-15-6-4-12(5-7-15)19(13,17)18/h3,8,10,12H,4-7,9H2,1-2H3,(H2,13,17,18)
InChIKeyLKPUXAORVIVXPY-UHFFFAOYSA-N
XLogP0.72
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide (CID 132970777) is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide is CC(C)n1ccc(CN2CCC(S(N)(=O)=O)CC2)n1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide?
The InChIKey is LKPUXAORVIVXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10(2)16-8-3-11(14-16)9-15-6-4-12(5-7-15)19(13,17)18/h3,8,10,12H,4-7,9H2,1-2H3,(H2,13,17,18).
What are the key properties of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide?
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-4-sulfonamide is sourced from PubChem (CID 132970777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).