2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide

C8H16N4O2S — CID 106215347

IUPAC2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C8H16N4O2S/c1-7(8-5-10-11-6-8)12-15(13,14)4-3-9-2/h5-7,9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyKJYMYTSYUJTHCR-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.39
Rot. Bonds6

About 2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide

2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide (PubChem CID 106215347) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
PubChem CID106215347
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C8H16N4O2S/c1-7(8-5-10-11-6-8)12-15(13,14)4-3-9-2/h5-7,9,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyKJYMYTSYUJTHCR-UHFFFAOYSA-N
XLogP-0.39
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 103854160
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106208337
2-(2-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106208370
1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
CID 106218352
1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106217693
5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106218637
2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
CID 106218496
4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106218494
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
1-(2-nitrophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 104624356
4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole
CID 113339062

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide (CID 106215347) is 2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide is CNCCS(=O)(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide?
The InChIKey is KJYMYTSYUJTHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-7(8-5-10-11-6-8)12-15(13,14)4-3-9-2/h5-7,9,12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide?
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 106215347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).