2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine

C10H17N3O2S — CID 60911158

IUPAC2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESCCC1CCCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O2S/c1-2-9-5-3-4-6-13(9)16(14,15)10-7-11-12-8-10/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyYNKQXIRANKINCS-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.36
Rot. Bonds3

About 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine

2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine (PubChem CID 60911158) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine.

Molecular Properties

Compound Name2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
PubChem CID60911158
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESCCC1CCCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O2S/c1-2-9-5-3-4-6-13(9)16(14,15)10-7-11-12-8-10/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyYNKQXIRANKINCS-UHFFFAOYSA-N
XLogP1.36
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The IUPAC name of 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine (CID 60911158) is 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine.
What is the SMILES notation for 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The canonical SMILES for 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine is CCC1CCCCN1S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The InChIKey is YNKQXIRANKINCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-9-5-3-4-6-13(9)16(14,15)10-7-11-12-8-10/h7-9H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine has a molecular weight of 243.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine is sourced from PubChem (CID 60911158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).