5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide

C13H18N4O2S2 — CID 106056402

IUPAC5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCc2cnc(C)cn2)s1
InChIInChI=1S/C13H18N4O2S2/c1-10-7-16-11(8-15-10)9-17-21(18,19)13-4-3-12(20-13)5-6-14-2/h3-4,7-8,14,17H,5-6,9H2,1-2H3
InChIKeyYJXGHBDMRPIXFO-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.09
Rot. Bonds7

About 5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide

5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106056402) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID106056402
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCc2cnc(C)cn2)s1
InChIInChI=1S/C13H18N4O2S2/c1-10-7-16-11(8-15-10)9-17-21(18,19)13-4-3-12(20-13)5-6-14-2/h3-4,7-8,14,17H,5-6,9H2,1-2H3
InChIKeyYJXGHBDMRPIXFO-UHFFFAOYSA-N
XLogP1.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81174323
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
5-[2-(methylamino)ethyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106068090
5-[2-(methylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064914
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106054807
5-[2-(methylamino)ethyl]-N-[(2-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 106018540
5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090568
5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054648
N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106078895
2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-sulfonamide
CID 62840002
5-ethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714698
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62847397

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide (CID 106056402) is 5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide is CNCCc1ccc(S(=O)(=O)NCc2cnc(C)cn2)s1.
What is the InChIKey of 5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is YJXGHBDMRPIXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-10-7-16-11(8-15-10)9-17-21(18,19)13-4-3-12(20-13)5-6-14-2/h3-4,7-8,14,17H,5-6,9H2,1-2H3.
What are the key properties of 5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide?
5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106056402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).