2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide

C11H22N4O2S — CID 62038196

IUPAC2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C11H22N4O2S/c1-3-12-7-8-18(16,17)14-6-4-5-11-9-13-15-10(11)2/h9,12,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyYBPCYXDLMJAZFW-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.18
Rot. Bonds9

About 2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide

2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide (PubChem CID 62038196) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
PubChem CID62038196
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C11H22N4O2S/c1-3-12-7-8-18(16,17)14-6-4-5-11-9-13-15-10(11)2/h9,12,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyYBPCYXDLMJAZFW-UHFFFAOYSA-N
XLogP0.18
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide
CID 63855885
3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
CID 114810051
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310
1,1,1-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040916
1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040239
3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 62040309
5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
CID 62040501
2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040457
4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide
CID 106055228
2-(aminomethyl)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-3-sulfonamide
CID 106055239
4-bromo-2-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040495

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide (CID 62038196) is 2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide is CCNCCS(=O)(=O)NCCCc1cn[nH]c1C.
What is the InChIKey of 2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide?
The InChIKey is YBPCYXDLMJAZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-3-12-7-8-18(16,17)14-6-4-5-11-9-13-15-10(11)2/h9,12,14H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide?
2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.18, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 62038196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).