1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide

C12H22N4O3S — CID 106072292

IUPAC1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESCCNCCCn1cc(S(=O)(=O)NC2CCOC2)cn1
InChIInChI=1S/C12H22N4O3S/c1-2-13-5-3-6-16-9-12(8-14-16)20(17,18)15-11-4-7-19-10-11/h8-9,11,13,15H,2-7,10H2,1H3
InChIKeyIJIMOLITLUEEPH-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.05
Rot. Bonds8

About 1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide

1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide (PubChem CID 106072292) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
PubChem CID106072292
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESCCNCCCn1cc(S(=O)(=O)NC2CCOC2)cn1
InChIInChI=1S/C12H22N4O3S/c1-2-13-5-3-6-16-9-12(8-14-16)20(17,18)15-11-4-7-19-10-11/h8-9,11,13,15H,2-7,10H2,1H3
InChIKeyIJIMOLITLUEEPH-UHFFFAOYSA-N
XLogP-0.05
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.05
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

3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 80717554
1-[2-(ethylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084347
1-[2-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)pyrazole-4-sulfonamide
CID 106016439
1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 82744842
1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 106071539
1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075195
N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106075167
1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide
CID 106002630
1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide
CID 106091562
1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106053678
N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106076162
1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide (CID 106072292) is 1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide is CCNCCCn1cc(S(=O)(=O)NC2CCOC2)cn1.
What is the InChIKey of 1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is IJIMOLITLUEEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-2-13-5-3-6-16-9-12(8-14-16)20(17,18)15-11-4-7-19-10-11/h8-9,11,13,15H,2-7,10H2,1H3.
What are the key properties of 1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide?
1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106072292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).