1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide

C11H14N4O2S2 — CID 154779770

IUPAC1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide
SMILESNS(=O)(=O)C1(CNc2ncnc3ccsc23)CCC1
InChIInChI=1S/C11H14N4O2S2/c12-19(16,17)11(3-1-4-11)6-13-10-9-8(2-5-18-9)14-7-15-10/h2,5,7H,1,3-4,6H2,(H2,12,16,17)(H,13,14,15)
InChIKeyOPMGDILOOLXRHT-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.31
Rot. Bonds4

About 1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide

1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide (PubChem CID 154779770) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide.

Molecular Properties

Compound Name1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide
PubChem CID154779770
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide
SMILESNS(=O)(=O)C1(CNc2ncnc3ccsc23)CCC1
InChIInChI=1S/C11H14N4O2S2/c12-19(16,17)11(3-1-4-11)6-13-10-9-8(2-5-18-9)14-7-15-10/h2,5,7H,1,3-4,6H2,(H2,12,16,17)(H,13,14,15)
InChIKeyOPMGDILOOLXRHT-UHFFFAOYSA-N
XLogP1.31
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide 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 1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide?
The IUPAC name of 1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide (CID 154779770) is 1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide.
What is the SMILES notation for 1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide?
The canonical SMILES for 1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide is NS(=O)(=O)C1(CNc2ncnc3ccsc23)CCC1.
What is the InChIKey of 1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide?
The InChIKey is OPMGDILOOLXRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c12-19(16,17)11(3-1-4-11)6-13-10-9-8(2-5-18-9)14-7-15-10/h2,5,7H,1,3-4,6H2,(H2,12,16,17)(H,13,14,15).
What are the key properties of 1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide?
1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide is sourced from PubChem (CID 154779770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).