N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide

C14H22N6O2S — CID 86776323

IUPACN-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C14H22N6O2S/c1-3-8-23(21,22)18-11-4-6-20(7-5-11)14-12-9-17-19(2)13(12)15-10-16-14/h9-11,18H,3-8H2,1-2H3
InChIKeyUQAFFEMXLCFLAT-UHFFFAOYSA-N
MW338.44 g/mol
LogP0.66
Rot. Bonds5

About N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 86776323) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID86776323
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC NameN-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C14H22N6O2S/c1-3-8-23(21,22)18-11-4-6-20(7-5-11)14-12-9-17-19(2)13(12)15-10-16-14/h9-11,18H,3-8H2,1-2H3
InChIKeyUQAFFEMXLCFLAT-UHFFFAOYSA-N
XLogP0.66
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide (CID 86776323) is N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(c2ncnc3c2cnn3C)CC1.
What is the InChIKey of N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is UQAFFEMXLCFLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-3-8-23(21,22)18-11-4-6-20(7-5-11)14-12-9-17-19(2)13(12)15-10-16-14/h9-11,18H,3-8H2,1-2H3.
What are the key properties of N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 338.44 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 86776323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).