3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide

C8H16N4O3S — CID 102694355

IUPAC3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C8H16N4O3S/c1-6(15-3)4-10-16(13,14)7-5-12(2)11-8(7)9/h5-6,10H,4H2,1-3H3,(H2,9,11)
InChIKeyXEFJABANEZGBGT-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.68
Rot. Bonds5

About 3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 102694355) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide
PubChem CID102694355
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C8H16N4O3S/c1-6(15-3)4-10-16(13,14)7-5-12(2)11-8(7)9/h5-6,10H,4H2,1-3H3,(H2,9,11)
InChIKeyXEFJABANEZGBGT-UHFFFAOYSA-N
XLogP-0.68
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1-methylpyrazole-4-sulfonamide
CID 107150658
3-amino-N-(3-hydroxybutyl)-1-methylpyrazole-4-sulfonamide
CID 64929598
3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60810421
3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114615063
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 61113632
N-(2-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 102697533
3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 60814194
2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide
CID 102700480
1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 19681194
3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106259655
3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide
CID 106208401

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide (CID 102694355) is 3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide is COC(C)CNS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is XEFJABANEZGBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-6(15-3)4-10-16(13,14)7-5-12(2)11-8(7)9/h5-6,10H,4H2,1-3H3,(H2,9,11).
What are the key properties of 3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 102694355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).