3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide

C10H18N4O2S — CID 63820971

IUPAC3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)N2CCCC(C)C2)n[nH]1
InChIInChI=1S/C10H18N4O2S/c1-8-4-3-5-14(7-8)17(15,16)13-10-6-9(2)11-12-10/h6,8H,3-5,7H2,1-2H3,(H2,11,12,13)
InChIKeyZGHBETCDHYYRMX-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.11
Rot. Bonds3

About 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide

3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide (PubChem CID 63820971) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide
PubChem CID63820971
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)N2CCCC(C)C2)n[nH]1
InChIInChI=1S/C10H18N4O2S/c1-8-4-3-5-14(7-8)17(15,16)13-10-6-9(2)11-12-10/h6,8H,3-5,7H2,1-2H3,(H2,11,12,13)
InChIKeyZGHBETCDHYYRMX-UHFFFAOYSA-N
XLogP1.11
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide (CID 63820971) is 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide is Cc1cc(NS(=O)(=O)N2CCCC(C)C2)n[nH]1.
What is the InChIKey of 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide?
The InChIKey is ZGHBETCDHYYRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-8-4-3-5-14(7-8)17(15,16)13-10-6-9(2)11-12-10/h6,8H,3-5,7H2,1-2H3,(H2,11,12,13).
What are the key properties of 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide?
3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 63820971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).