2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide

C12H18N4O2S2 — CID 106054518

IUPAC2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCn2cccn2)c(C)s1
InChIInChI=1S/C12H18N4O2S2/c1-10-12(8-11(19-10)9-13-2)20(17,18)15-5-7-16-6-3-4-14-16/h3-4,6,8,13,15H,5,7,9H2,1-2H3
InChIKeyKTLIZABQTULFEO-UHFFFAOYSA-N
MW314.44 g/mol
LogP0.95
Rot. Bonds7

About 2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide

2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide (PubChem CID 106054518) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
PubChem CID106054518
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCn2cccn2)c(C)s1
InChIInChI=1S/C12H18N4O2S2/c1-10-12(8-11(19-10)9-13-2)20(17,18)15-5-7-16-6-3-4-14-16/h3-4,6,8,13,15H,5,7,9H2,1-2H3
InChIKeyKTLIZABQTULFEO-UHFFFAOYSA-N
XLogP0.95
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
CID 106054649
2-methyl-5-(methylaminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073530
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094908
5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054648
5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262
2-methoxy-4,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716631
5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054619
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 114379310
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
2-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106411220
5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106065084
2-methyl-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106067958

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide (CID 106054518) is 2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCCn2cccn2)c(C)s1.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide?
The InChIKey is KTLIZABQTULFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-10-12(8-11(19-10)9-13-2)20(17,18)15-5-7-16-6-3-4-14-16/h3-4,6,8,13,15H,5,7,9H2,1-2H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide?
2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106054518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).