2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide

C11H16N4O2S2 — CID 138030516

IUPAC2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide
SMILESCc1sc2ncnc(N(C)CCS(N)(=O)=O)c2c1C
InChIInChI=1S/C11H16N4O2S2/c1-7-8(2)18-11-9(7)10(13-6-14-11)15(3)4-5-19(12,16)17/h6H,4-5H2,1-3H3,(H2,12,16,17)
InChIKeyJAIRKTLGXMTXFN-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.03
Rot. Bonds4

About 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide (PubChem CID 138030516) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide
PubChem CID138030516
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide
SMILESCc1sc2ncnc(N(C)CCS(N)(=O)=O)c2c1C
InChIInChI=1S/C11H16N4O2S2/c1-7-8(2)18-11-9(7)10(13-6-14-11)15(3)4-5-19(12,16)17/h6H,4-5H2,1-3H3,(H2,12,16,17)
InChIKeyJAIRKTLGXMTXFN-UHFFFAOYSA-N
XLogP1.03
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide?
The IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide (CID 138030516) is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide is Cc1sc2ncnc(N(C)CCS(N)(=O)=O)c2c1C.
What is the InChIKey of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide?
The InChIKey is JAIRKTLGXMTXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-7-8(2)18-11-9(7)10(13-6-14-11)15(3)4-5-19(12,16)17/h6H,4-5H2,1-3H3,(H2,12,16,17).
What are the key properties of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide?
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide is sourced from PubChem (CID 138030516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).