4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole

C10H20N4O2S — CID 113339062

IUPAC4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole
SMILESCCCCN(C)S(=O)(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C10H20N4O2S/c1-4-5-6-14(3)17(15,16)13-9(2)10-7-11-12-8-10/h7-9,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyWLVJVFKAXSYRHA-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.04
Rot. Bonds7

About 4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole

4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole (PubChem CID 113339062) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole
PubChem CID113339062
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole
SMILESCCCCN(C)S(=O)(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C10H20N4O2S/c1-4-5-6-14(3)17(15,16)13-9(2)10-7-11-12-8-10/h7-9,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyWLVJVFKAXSYRHA-UHFFFAOYSA-N
XLogP1.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
CID 106218352
N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 104696536
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine
CID 106022387
N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine
CID 104696534
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 103854160
6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine
CID 34144272
1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106217693
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106215347
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
(2S)-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]octan-2-amine
CID 124672844
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole?
The IUPAC name of 4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole (CID 113339062) is 4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole.
What is the SMILES notation for 4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole?
The canonical SMILES for 4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole is CCCCN(C)S(=O)(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole?
The InChIKey is WLVJVFKAXSYRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-4-5-6-14(3)17(15,16)13-9(2)10-7-11-12-8-10/h7-9,13H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole?
4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole has a molecular weight of 260.36 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole is sourced from PubChem (CID 113339062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).