5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide

C12H18N4O2S2 — CID 106049895

IUPAC5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)NCCc2ccsc2)n[nH]c1C
InChIInChI=1S/C12H18N4O2S2/c1-9-11(7-13-2)12(16-15-9)20(17,18)14-5-3-10-4-6-19-8-10/h4,6,8,13-14H,3,5,7H2,1-2H3,(H,15,16)
InChIKeyJSBMBUYIWPZVDX-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.02
Rot. Bonds7

About 5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide

5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide (PubChem CID 106049895) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide
PubChem CID106049895
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)NCCc2ccsc2)n[nH]c1C
InChIInChI=1S/C12H18N4O2S2/c1-9-11(7-13-2)12(16-15-9)20(17,18)14-5-3-10-4-6-19-8-10/h4,6,8,13-14H,3,5,7H2,1-2H3,(H,15,16)
InChIKeyJSBMBUYIWPZVDX-UHFFFAOYSA-N
XLogP1.02
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(methylaminomethyl)-N-thiophen-3-yl-1H-pyrazole-3-sulfonamide
CID 106069925
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106066522
4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049854
N-(2-ethoxyethyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 114137677
2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106050066
2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049842
5-methyl-4-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106077187
2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049907
5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106064978
5-methyl-4-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106094369
N-(2-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 47372092
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106044354

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of 5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide (CID 106049895) is 5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide is CNCc1c(S(=O)(=O)NCCc2ccsc2)n[nH]c1C.
What is the InChIKey of 5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide?
The InChIKey is JSBMBUYIWPZVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-9-11(7-13-2)12(16-15-9)20(17,18)14-5-3-10-4-6-19-8-10/h4,6,8,13-14H,3,5,7H2,1-2H3,(H,15,16).
What are the key properties of 5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide?
5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106049895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).