N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide

C13H18N4O3S2 — CID 135117350

IUPACN,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1Nc1ncnc2sccc12
InChIInChI=1S/C13H18N4O3S2/c1-17(2)22(18,19)7-9-5-20-6-11(9)16-12-10-3-4-21-13(10)15-8-14-12/h3-4,8-9,11H,5-7H2,1-2H3,(H,14,15,16)/t9-,11-/m0/s1
InChIKeyRYXAHOLWVSTMFT-ONGXEEELSA-N
MW342.45 g/mol
LogP1.01
Rot. Bonds5

About N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide

N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide (PubChem CID 135117350) has the molecular formula C13H18N4O3S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide
PubChem CID135117350
Molecular FormulaC13H18N4O3S2
Molecular Weight342.45 g/mol
Exact Mass342.08
IUPAC NameN,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1Nc1ncnc2sccc12
InChIInChI=1S/C13H18N4O3S2/c1-17(2)22(18,19)7-9-5-20-6-11(9)16-12-10-3-4-21-13(10)15-8-14-12/h3-4,8-9,11H,5-7H2,1-2H3,(H,14,15,16)/t9-,11-/m0/s1
InChIKeyRYXAHOLWVSTMFT-ONGXEEELSA-N
XLogP1.01
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]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,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide?
The IUPAC name of N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide (CID 135117350) is N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1Nc1ncnc2sccc12.
What is the InChIKey of N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide?
The InChIKey is RYXAHOLWVSTMFT-ONGXEEELSA-N. The full InChI is InChI=1S/C13H18N4O3S2/c1-17(2)22(18,19)7-9-5-20-6-11(9)16-12-10-3-4-21-13(10)15-8-14-12/h3-4,8-9,11H,5-7H2,1-2H3,(H,14,15,16)/t9-,11-/m0/s1.
What are the key properties of N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide?
N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide has a molecular weight of 342.45 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 135117350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).