N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide

C8H16N4O2S — CID 79503158

IUPACN-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1[nH]ncc1CN
InChIInChI=1S/C8H16N4O2S/c1-8(2,3)15(13,14)12-7-6(4-9)5-10-11-7/h5H,4,9H2,1-3H3,(H2,10,11,12)
InChIKeyJCZPYEQVXLTMOZ-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.41
Rot. Bonds3

About N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide

N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide (PubChem CID 79503158) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide
PubChem CID79503158
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1[nH]ncc1CN
InChIInChI=1S/C8H16N4O2S/c1-8(2,3)15(13,14)12-7-6(4-9)5-10-11-7/h5H,4,9H2,1-3H3,(H2,10,11,12)
InChIKeyJCZPYEQVXLTMOZ-UHFFFAOYSA-N
XLogP0.41
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide (CID 79503158) is N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1[nH]ncc1CN.
What is the InChIKey of N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is JCZPYEQVXLTMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-8(2,3)15(13,14)12-7-6(4-9)5-10-11-7/h5H,4,9H2,1-3H3,(H2,10,11,12).
What are the key properties of N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide?
N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1H-pyrazol-5-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 79503158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).