1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine

C11H19N3O3S — CID 43216603

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine
SMILESCOC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C11H19N3O3S/c1-8-11(9(2)13-12-8)18(15,16)14-6-4-10(17-3)5-7-14/h10H,4-7H2,1-3H3,(H,12,13)
InChIKeyBWSZTMNKRAGEJQ-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.83
Rot. Bonds3

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine (PubChem CID 43216603) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine
PubChem CID43216603
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine
SMILESCOC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C11H19N3O3S/c1-8-11(9(2)13-12-8)18(15,16)14-6-4-10(17-3)5-7-14/h10H,4-7H2,1-3H3,(H,12,13)
InChIKeyBWSZTMNKRAGEJQ-UHFFFAOYSA-N
XLogP0.83
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine (CID 43216603) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine is COC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine?
The InChIKey is BWSZTMNKRAGEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8-11(9(2)13-12-8)18(15,16)14-6-4-10(17-3)5-7-14/h10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine has a molecular weight of 273.36 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxypiperidine is sourced from PubChem (CID 43216603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).