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

C10H17N3O2S — CID 4564826

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H17N3O2S/c1-8-10(9(2)12-11-8)16(14,15)13-6-4-3-5-7-13/h3-7H2,1-2H3,(H,11,12)
InChIKeySCGLAYSDNYDXAL-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.20
Rot. Bonds2

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

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine (PubChem CID 4564826) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
PubChem CID4564826
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H17N3O2S/c1-8-10(9(2)12-11-8)16(14,15)13-6-4-3-5-7-13/h3-7H2,1-2H3,(H,11,12)
InChIKeySCGLAYSDNYDXAL-UHFFFAOYSA-N
XLogP1.20
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.20
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]piperidine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine (CID 4564826) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The InChIKey is SCGLAYSDNYDXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-10(9(2)12-11-8)16(14,15)13-6-4-3-5-7-13/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine has a molecular weight of 243.33 g/mol, XLogP of 1.20, 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]piperidine is sourced from PubChem (CID 4564826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).