N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide

C11H19N3O3S — CID 90615292

IUPACN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1ncc2c1CCOC2
InChIInChI=1S/C11H19N3O3S/c1-2-7-18(15,16)13-4-5-14-11-3-6-17-9-10(11)8-12-14/h8,13H,2-7,9H2,1H3
InChIKeyXAZLZFXJAVEMII-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.29
Rot. Bonds6

About N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide

N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 90615292) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide
PubChem CID90615292
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1ncc2c1CCOC2
InChIInChI=1S/C11H19N3O3S/c1-2-7-18(15,16)13-4-5-14-11-3-6-17-9-10(11)8-12-14/h8,13H,2-7,9H2,1H3
InChIKeyXAZLZFXJAVEMII-UHFFFAOYSA-N
XLogP0.29
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide (CID 90615292) is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCn1ncc2c1CCOC2.
What is the InChIKey of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is XAZLZFXJAVEMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-2-7-18(15,16)13-4-5-14-11-3-6-17-9-10(11)8-12-14/h8,13H,2-7,9H2,1H3.
What are the key properties of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide?
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 90615292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).