1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide

C12H23N5O2S — CID 106075263

IUPAC1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
SMILESCNCCCn1cc(S(=O)(=O)NN2CCCCC2)cn1
InChIInChI=1S/C12H23N5O2S/c1-13-6-5-9-17-11-12(10-14-17)20(18,19)15-16-7-3-2-4-8-16/h10-11,13,15H,2-9H2,1H3
InChIKeyIADRENMNWGIZFD-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.17
Rot. Bonds7

About 1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide

1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide (PubChem CID 106075263) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
PubChem CID106075263
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
SMILESCNCCCn1cc(S(=O)(=O)NN2CCCCC2)cn1
InChIInChI=1S/C12H23N5O2S/c1-13-6-5-9-17-11-12(10-14-17)20(18,19)15-16-7-3-2-4-8-16/h10-11,13,15H,2-9H2,1H3
InChIKeyIADRENMNWGIZFD-UHFFFAOYSA-N
XLogP0.17
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075195
1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106094798
1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide
CID 106075440
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
1-[3-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018228
1-[3-(methylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031715
1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 106077484
N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106068959
1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide
CID 106081763
N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
CID 106059803
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
N-(3-butoxypropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106080429

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide (CID 106075263) is 1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide is CNCCCn1cc(S(=O)(=O)NN2CCCCC2)cn1.
What is the InChIKey of 1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide?
The InChIKey is IADRENMNWGIZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-13-6-5-9-17-11-12(10-14-17)20(18,19)15-16-7-3-2-4-8-16/h10-11,13,15H,2-9H2,1H3.
What are the key properties of 1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide?
1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 106075263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).