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

C11H19N3O2S — CID 3331839

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C11H19N3O2S/c1-8-4-6-14(7-5-8)17(15,16)11-9(2)12-13-10(11)3/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyCCSQZNBZBSKIIL-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.45
Rot. Bonds2

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

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine (PubChem CID 3331839) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
PubChem CID3331839
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C11H19N3O2S/c1-8-4-6-14(7-5-8)17(15,16)11-9(2)12-13-10(11)3/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyCCSQZNBZBSKIIL-UHFFFAOYSA-N
XLogP1.45
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine (CID 3331839) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine?
The InChIKey is CCSQZNBZBSKIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8-4-6-14(7-5-8)17(15,16)11-9(2)12-13-10(11)3/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine has a molecular weight of 257.36 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine is sourced from PubChem (CID 3331839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).