4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine

C13H23N3O2S — CID 63162213

IUPAC4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
SMILESCCC1(CC)CCN(S(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C13H23N3O2S/c1-4-13(5-2)6-8-16(9-7-13)19(17,18)12-10-14-15-11(12)3/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyNYCYSUVCMWNUBF-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.31
Rot. Bonds4

About 4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine

4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine (PubChem CID 63162213) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine.

Molecular Properties

Compound Name4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
PubChem CID63162213
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
SMILESCCC1(CC)CCN(S(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C13H23N3O2S/c1-4-13(5-2)6-8-16(9-7-13)19(17,18)12-10-14-15-11(12)3/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyNYCYSUVCMWNUBF-UHFFFAOYSA-N
XLogP2.31
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The IUPAC name of 4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine (CID 63162213) is 4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine.
What is the SMILES notation for 4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The canonical SMILES for 4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine is CCC1(CC)CCN(S(=O)(=O)c2cn[nH]c2C)CC1.
What is the InChIKey of 4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The InChIKey is NYCYSUVCMWNUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-13(5-2)6-8-16(9-7-13)19(17,18)12-10-14-15-11(12)3/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine has a molecular weight of 285.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine is sourced from PubChem (CID 63162213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).