N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C11H22N4O3S — CID 83040038

IUPACN-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOCCNCCNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H22N4O3S/c1-9-11(10(2)15(3)14-9)19(16,17)13-6-5-12-7-8-18-4/h12-13H,5-8H2,1-4H3
InChIKeyPCRYWJDFEZBMFH-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.45
Rot. Bonds8

About N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 83040038) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID83040038
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOCCNCCNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H22N4O3S/c1-9-11(10(2)15(3)14-9)19(16,17)13-6-5-12-7-8-18-4/h12-13H,5-8H2,1-4H3
InChIKeyPCRYWJDFEZBMFH-UHFFFAOYSA-N
XLogP-0.45
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 55100929
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684327
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509
N-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 113444011
N-(1-bromo-3-methoxypropan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 114155453
4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide
CID 114172502
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide
CID 94500290
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide
CID 126821597
7-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]heptanoic acid
CID 43241419

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 83040038) is N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is COCCNCCNS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is PCRYWJDFEZBMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-9-11(10(2)15(3)14-9)19(16,17)13-6-5-12-7-8-18-4/h12-13H,5-8H2,1-4H3.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of -0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 83040038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).