1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

C9H18N4O2S — CID 62658927

IUPAC1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C9H18N4O2S/c1-7-9(8(2)13(4)12-7)16(14,15)11-6-5-10-3/h10-11H,5-6H2,1-4H3
InChIKeyXHZSMMGNCVRQNV-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.47
Rot. Bonds5

About 1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 62658927) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID62658927
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C9H18N4O2S/c1-7-9(8(2)13(4)12-7)16(14,15)11-6-5-10-3/h10-11H,5-6H2,1-4H3
InChIKeyXHZSMMGNCVRQNV-UHFFFAOYSA-N
XLogP-0.47
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 83040038
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide
CID 126821597
1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684327
7-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]heptanoic acid
CID 43241419
N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62666487
N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114267232
1,3,5-trimethyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 22207301
N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62653855
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106141584

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (CID 62658927) is 1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is CNCCNS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of 1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is XHZSMMGNCVRQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-7-9(8(2)13(4)12-7)16(14,15)11-6-5-10-3/h10-11H,5-6H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 62658927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).