N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

C12H24N4O3S — CID 106086810

IUPACN-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1cnn(CCNC)c1
InChIInChI=1S/C12H24N4O3S/c1-5-19-12(2,3)10-15-20(17,18)11-8-14-16(9-11)7-6-13-4/h8-9,13,15H,5-7,10H2,1-4H3
InChIKeySHWUNRKJIYODAA-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.20
Rot. Bonds9

About N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106086810) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106086810
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC NameN-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1cnn(CCNC)c1
InChIInChI=1S/C12H24N4O3S/c1-5-19-12(2,3)10-15-20(17,18)11-8-14-16(9-11)7-6-13-4/h8-9,13,15H,5-7,10H2,1-4H3
InChIKeySHWUNRKJIYODAA-UHFFFAOYSA-N
XLogP0.20
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-butoxypropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106080429
N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106035138
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
1-(2-hydroxyethyl)-N-(2-methyl-2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135493
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 106077484
1-[2-(methylamino)ethyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 106064162
1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017953
N-[2-[cyclopropyl(methyl)amino]propyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106094169
1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028775
N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106085254
1-(2-hydroxyethyl)-N-(3-methylpentan-3-yl)pyrazole-4-sulfonamide
CID 106331651

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (CID 106086810) is N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is CCOC(C)(C)CNS(=O)(=O)c1cnn(CCNC)c1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is SHWUNRKJIYODAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-5-19-12(2,3)10-15-20(17,18)11-8-14-16(9-11)7-6-13-4/h8-9,13,15H,5-7,10H2,1-4H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 0.20, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106086810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).