5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide

C11H16N4O2S2 — CID 106018213

IUPAC5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2cnn(C)c2)cs1
InChIInChI=1S/C11H16N4O2S2/c1-12-6-10-3-11(8-18-10)19(16,17)14-5-9-4-13-15(2)7-9/h3-4,7-8,12,14H,5-6H2,1-2H3
InChIKeyURUNQLSIKVJHJO-UHFFFAOYSA-N
MW300.41 g/mol
LogP0.68
Rot. Bonds6

About 5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide

5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106018213) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
PubChem CID106018213
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCc2cnn(C)c2)cs1
InChIInChI=1S/C11H16N4O2S2/c1-12-6-10-3-11(8-18-10)19(16,17)14-5-9-4-13-15(2)7-9/h3-4,7-8,12,14H,5-6H2,1-2H3
InChIKeyURUNQLSIKVJHJO-UHFFFAOYSA-N
XLogP0.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106018237
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018256
1-[3-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018228
6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62158685
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 81259081
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090340
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337
4-(2-chloroethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61348717
5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106089898
2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018292

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide (CID 106018213) is 5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCc2cnn(C)c2)cs1.
What is the InChIKey of 5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is URUNQLSIKVJHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-12-6-10-3-11(8-18-10)19(16,17)14-5-9-4-13-15(2)7-9/h3-4,7-8,12,14H,5-6H2,1-2H3.
What are the key properties of 5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide?
5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106018213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).