N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

C11H22N4O3S — CID 106068722

IUPACN-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NC(COC)C(C)C
InChIInChI=1S/C11H22N4O3S/c1-8(2)10(7-18-4)15-19(16,17)11-9(5-12-3)6-13-14-11/h6,8,10,12,15H,5,7H2,1-4H3,(H,13,14)
InChIKeyAOEJYMKPUHIHHM-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.08
Rot. Bonds8

About N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106068722) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106068722
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NC(COC)C(C)C
InChIInChI=1S/C11H22N4O3S/c1-8(2)10(7-18-4)15-19(16,17)11-9(5-12-3)6-13-14-11/h6,8,10,12,15H,5,7H2,1-4H3,(H,13,14)
InChIKeyAOEJYMKPUHIHHM-UHFFFAOYSA-N
XLogP0.08
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 ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-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

4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106018839
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
4-(methylaminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106003395
4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide
CID 106022701
4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 106055074
N-(2-ethoxypropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106078744
N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106060777
4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106016006
N-(1-methoxy-3-methylbutan-2-yl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068684
N-[(2-methoxyphenyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106046935
4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide
CID 106088621
4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide
CID 106053436

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106068722) is N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)NC(COC)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is AOEJYMKPUHIHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-8(2)10(7-18-4)15-19(16,17)11-9(5-12-3)6-13-14-11/h6,8,10,12,15H,5,7H2,1-4H3,(H,13,14).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106068722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).