4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole

C9H18N4O2S — CID 114810124

IUPAC4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole
SMILESCN(Cc1cn[nH]c1)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H18N4O2S/c1-9(2,3)12-16(14,15)13(4)7-8-5-10-11-6-8/h5-6,12H,7H2,1-4H3,(H,10,11)
InChIKeyMVWBYTHRVSIEIC-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.47
Rot. Bonds4

About 4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole

4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole (PubChem CID 114810124) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole
PubChem CID114810124
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole
SMILESCN(Cc1cn[nH]c1)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H18N4O2S/c1-9(2,3)12-16(14,15)13(4)7-8-5-10-11-6-8/h5-6,12H,7H2,1-4H3,(H,10,11)
InChIKeyMVWBYTHRVSIEIC-UHFFFAOYSA-N
XLogP0.47
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole?
The IUPAC name of 4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole (CID 114810124) is 4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole.
What is the SMILES notation for 4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole?
The canonical SMILES for 4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole is CN(Cc1cn[nH]c1)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole?
The InChIKey is MVWBYTHRVSIEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-9(2,3)12-16(14,15)13(4)7-8-5-10-11-6-8/h5-6,12H,7H2,1-4H3,(H,10,11).
What are the key properties of 4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole?
4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole has a molecular weight of 246.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole is sourced from PubChem (CID 114810124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).