4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine

C10H17N3O3S — CID 47350533

IUPAC4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESCCOC1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H17N3O3S/c1-2-16-9-3-5-13(6-4-9)17(14,15)10-7-11-12-8-10/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyUKWLNXYVDNZIIZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.60
Rot. Bonds4

About 4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine

4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine (PubChem CID 47350533) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine.

Molecular Properties

Compound Name4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine
PubChem CID47350533
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESCCOC1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H17N3O3S/c1-2-16-9-3-5-13(6-4-9)17(14,15)10-7-11-12-8-10/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyUKWLNXYVDNZIIZ-UHFFFAOYSA-N
XLogP0.60
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The IUPAC name of 4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine (CID 47350533) is 4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine.
What is the SMILES notation for 4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The canonical SMILES for 4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine is CCOC1CCN(S(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of 4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The InChIKey is UKWLNXYVDNZIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-16-9-3-5-13(6-4-9)17(14,15)10-7-11-12-8-10/h7-9H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine has a molecular weight of 259.33 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine is sourced from PubChem (CID 47350533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).