1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide

C12H24N4O3S — CID 106079977

IUPAC1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1c(C)nn(CCN)c1C
InChIInChI=1S/C12H24N4O3S/c1-9-11(10(2)16(15-9)7-6-13)20(17,18)14-8-12(3,4)19-5/h14H,6-8,13H2,1-5H3
InChIKeyCDVXHQXFGOOADY-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.16
Rot. Bonds7

About 1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 106079977) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID106079977
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1c(C)nn(CCN)c1C
InChIInChI=1S/C12H24N4O3S/c1-9-11(10(2)16(15-9)7-6-13)20(17,18)14-8-12(3,4)19-5/h14H,6-8,13H2,1-5H3
InChIKeyCDVXHQXFGOOADY-UHFFFAOYSA-N
XLogP0.16
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106026848
1-(2-aminoethyl)-N-(3-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106050761
1-(2-aminoethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410831
1-(3-aminopropyl)-N-(4-methoxybutyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106054114
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106141584
1-(2-aminoethyl)-N-(2-iodophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106030234
N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114267232
1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106063148
2-[4-(2,2-dimethylbutylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 103460341
1-(2-aminoethyl)-N-(3-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106060638
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylfuran-3-sulfonamide
CID 106079921
N-(cyclobutylmethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106024922

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide (CID 106079977) is 1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide is COC(C)(C)CNS(=O)(=O)c1c(C)nn(CCN)c1C.
What is the InChIKey of 1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is CDVXHQXFGOOADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-9-11(10(2)16(15-9)7-6-13)20(17,18)14-8-12(3,4)19-5/h14H,6-8,13H2,1-5H3.
What are the key properties of 1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 106079977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).