1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide

C12H22N4O3S — CID 82744842

IUPAC1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)N(C)C2CCOC2)cn1
InChIInChI=1S/C12H22N4O3S/c1-3-13-5-6-16-9-12(8-14-16)20(17,18)15(2)11-4-7-19-10-11/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyJQTXRGUKFJOEHS-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.10
Rot. Bonds7

About 1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide

1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide (PubChem CID 82744842) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide
PubChem CID82744842
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)N(C)C2CCOC2)cn1
InChIInChI=1S/C12H22N4O3S/c1-3-13-5-6-16-9-12(8-14-16)20(17,18)15(2)11-4-7-19-10-11/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyJQTXRGUKFJOEHS-UHFFFAOYSA-N
XLogP-0.10
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 106072292
1-[2-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)pyrazole-4-sulfonamide
CID 106016439
6-(ethylamino)-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 82744212
2-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]-N-ethylethanamine
CID 79186912
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
CID 82744052
N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786
1-[2-(ethylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084347
1-[3-(ethylamino)propyl]-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 115988388
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 82749058
N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106076162
4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82744724

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide (CID 82744842) is 1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide is CCNCCn1cc(S(=O)(=O)N(C)C2CCOC2)cn1.
What is the InChIKey of 1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is JQTXRGUKFJOEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-3-13-5-6-16-9-12(8-14-16)20(17,18)15(2)11-4-7-19-10-11/h8-9,11,13H,3-7,10H2,1-2H3.
What are the key properties of 1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide?
1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 82744842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).