N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide

C13H24N4O2S — CID 71926947

IUPACN-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide
SMILESCc1cc(C2CCCN(CCCNS(C)(=O)=O)C2)n[nH]1
InChIInChI=1S/C13H24N4O2S/c1-11-9-13(16-15-11)12-5-3-7-17(10-12)8-4-6-14-20(2,18)19/h9,12,14H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyQSMFJUIECIFONH-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.84
Rot. Bonds6

About N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide

N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide (PubChem CID 71926947) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide
PubChem CID71926947
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide
SMILESCc1cc(C2CCCN(CCCNS(C)(=O)=O)C2)n[nH]1
InChIInChI=1S/C13H24N4O2S/c1-11-9-13(16-15-11)12-5-3-7-17(10-12)8-4-6-14-20(2,18)19/h9,12,14H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyQSMFJUIECIFONH-UHFFFAOYSA-N
XLogP0.84
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide (CID 71926947) is N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide is Cc1cc(C2CCCN(CCCNS(C)(=O)=O)C2)n[nH]1.
What is the InChIKey of N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide?
The InChIKey is QSMFJUIECIFONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11-9-13(16-15-11)12-5-3-7-17(10-12)8-4-6-14-20(2,18)19/h9,12,14H,3-8,10H2,1-2H3,(H,15,16).
What are the key properties of N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide?
N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 71926947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).