5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide

C13H18N4O2S2 — CID 71898360

IUPAC5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCc1cc(NCc2ccc(S(=O)(=O)N(C)C)s2)nc(C)n1
InChIInChI=1S/C13H18N4O2S2/c1-9-7-12(16-10(2)15-9)14-8-11-5-6-13(20-11)21(18,19)17(3)4/h5-7H,8H2,1-4H3,(H,14,15,16)
InChIKeyMNGKUFACEULWGD-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.02
Rot. Bonds5

About 5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide

5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide (PubChem CID 71898360) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
PubChem CID71898360
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCc1cc(NCc2ccc(S(=O)(=O)N(C)C)s2)nc(C)n1
InChIInChI=1S/C13H18N4O2S2/c1-9-7-12(16-10(2)15-9)14-8-11-5-6-13(20-11)21(18,19)17(3)4/h5-7H,8H2,1-4H3,(H,14,15,16)
InChIKeyMNGKUFACEULWGD-UHFFFAOYSA-N
XLogP2.02
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide (CID 71898360) is 5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide is Cc1cc(NCc2ccc(S(=O)(=O)N(C)C)s2)nc(C)n1.
What is the InChIKey of 5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
The InChIKey is MNGKUFACEULWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-9-7-12(16-10(2)15-9)14-8-11-5-6-13(20-11)21(18,19)17(3)4/h5-7H,8H2,1-4H3,(H,14,15,16).
What are the key properties of 5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide?
5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 71898360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).