1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine

C13H23N3O4S — CID 91918302

IUPAC1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine
SMILESCCn1cc(S(=O)(=O)N2CCC(OCCOC)CC2)cn1
InChIInChI=1S/C13H23N3O4S/c1-3-15-11-13(10-14-15)21(17,18)16-6-4-12(5-7-16)20-9-8-19-2/h10-12H,3-9H2,1-2H3
InChIKeyQGYFNEYXMHQHHH-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.72
Rot. Bonds7

About 1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine

1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine (PubChem CID 91918302) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine
PubChem CID91918302
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine
SMILESCCn1cc(S(=O)(=O)N2CCC(OCCOC)CC2)cn1
InChIInChI=1S/C13H23N3O4S/c1-3-15-11-13(10-14-15)21(17,18)16-6-4-12(5-7-16)20-9-8-19-2/h10-12H,3-9H2,1-2H3
InChIKeyQGYFNEYXMHQHHH-UHFFFAOYSA-N
XLogP0.72
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine (CID 91918302) is 1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine is CCn1cc(S(=O)(=O)N2CCC(OCCOC)CC2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine?
The InChIKey is QGYFNEYXMHQHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-3-15-11-13(10-14-15)21(17,18)16-6-4-12(5-7-16)20-9-8-19-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine?
1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine has a molecular weight of 317.41 g/mol, XLogP of 0.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-methoxyethoxy)piperidine is sourced from PubChem (CID 91918302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).