N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide

C13H20N4O2S2 — CID 39998462

IUPACN-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCc1nc(NCCCNS(C)(=O)=O)c2c(C)c(C)sc2n1
InChIInChI=1S/C13H20N4O2S2/c1-8-9(2)20-13-11(8)12(16-10(3)17-13)14-6-5-7-15-21(4,18)19/h15H,5-7H2,1-4H3,(H,14,16,17)
InChIKeyVDUSOHZODQEVST-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.97
Rot. Bonds6

About N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide

N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 39998462) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
PubChem CID39998462
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC NameN-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCc1nc(NCCCNS(C)(=O)=O)c2c(C)c(C)sc2n1
InChIInChI=1S/C13H20N4O2S2/c1-8-9(2)20-13-11(8)12(16-10(3)17-13)14-6-5-7-15-21(4,18)19/h15H,5-7H2,1-4H3,(H,14,16,17)
InChIKeyVDUSOHZODQEVST-UHFFFAOYSA-N
XLogP1.97
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide (CID 39998462) is N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide is Cc1nc(NCCCNS(C)(=O)=O)c2c(C)c(C)sc2n1.
What is the InChIKey of N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is VDUSOHZODQEVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-8-9(2)20-13-11(8)12(16-10(3)17-13)14-6-5-7-15-21(4,18)19/h15H,5-7H2,1-4H3,(H,14,16,17).
What are the key properties of N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide?
N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 39998462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).