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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Related Compounds

1,1,1-trifluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
CID 64047873
4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-pyrazole
CID 113637303
3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine
CID 61000156
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 62403356
N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 104412783
ethane;2-(1H-pyrazol-4-ylmethylamino)propanenitrile
CID 156892661
N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide
CID 158014659
4-(aminomethyl)-N,N-dimethyl-1H-Pyrazole-1-sulfonamide
CID 166681728
N,N-dimethylmethanamine;4-methyl-1H-pyrazole;sulfuric acid
CID 174717944
N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 176568498
4-(dipropylsulfamoylamino)-1H-pyrazole
CID 43540549

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).