N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

C11H22N4O3S — CID 106086739

IUPACN-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1[nH]ncc1CNC
InChIInChI=1S/C11H22N4O3S/c1-5-18-11(2,3)8-14-19(16,17)10-9(6-12-4)7-13-15-10/h7,12,14H,5-6,8H2,1-4H3,(H,13,15)
InChIKeyQOUJUEFHCCARGU-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.22
Rot. Bonds8

About N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106086739) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106086739
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC NameN-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1[nH]ncc1CNC
InChIInChI=1S/C11H22N4O3S/c1-5-18-11(2,3)8-14-19(16,17)10-9(6-12-4)7-13-15-10/h7,12,14H,5-6,8H2,1-4H3,(H,13,15)
InChIKeyQOUJUEFHCCARGU-UHFFFAOYSA-N
XLogP0.22
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxypropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106078744
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-5-sulfonamide
CID 114142090
4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106016006
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522942
N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106086804
N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106086792
N-[(2-methoxyphenyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106046935
N-(1-ethylcyclobutyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 113489224
4-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-5-sulfonamide
CID 106054558
N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106090960

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106086739) is N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is CCOC(C)(C)CNS(=O)(=O)c1[nH]ncc1CNC.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is QOUJUEFHCCARGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-5-18-11(2,3)8-14-19(16,17)10-9(6-12-4)7-13-15-10/h7,12,14H,5-6,8H2,1-4H3,(H,13,15).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106086739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).