N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide

C10H14N4O2S2 — CID 133408802

IUPACN-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCc1cc2c(NCCNS(C)(=O)=O)ncnc2s1
InChIInChI=1S/C10H14N4O2S2/c1-7-5-8-9(12-6-13-10(8)17-7)11-3-4-14-18(2,15)16/h5-6,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyGGPJFLHVUJLGRN-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.96
Rot. Bonds5

About N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide

N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide (PubChem CID 133408802) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
PubChem CID133408802
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC NameN-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCc1cc2c(NCCNS(C)(=O)=O)ncnc2s1
InChIInChI=1S/C10H14N4O2S2/c1-7-5-8-9(12-6-13-10(8)17-7)11-3-4-14-18(2,15)16/h5-6,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyGGPJFLHVUJLGRN-UHFFFAOYSA-N
XLogP0.96
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide (CID 133408802) is N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide is Cc1cc2c(NCCNS(C)(=O)=O)ncnc2s1.
What is the InChIKey of N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The InChIKey is GGPJFLHVUJLGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-7-5-8-9(12-6-13-10(8)17-7)11-3-4-14-18(2,15)16/h5-6,14H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide?
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide has a molecular weight of 286.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 133408802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).