N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide

C15H26N4O3S — CID 135095881

IUPACN,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide
SMILESCCCc1nc(C)cc(N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1
InChIInChI=1S/C15H26N4O3S/c1-5-6-14-16-11(2)7-15(18-14)17-13-9-22-8-12(13)10-23(20,21)19(3)4/h7,12-13H,5-6,8-10H2,1-4H3,(H,16,17,18)/t12-,13-/m0/s1
InChIKeyVAZVMDURLIRAGS-STQMWFEESA-N
MW342.47 g/mol
LogP1.06
Rot. Bonds7

About N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide

N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide (PubChem CID 135095881) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide
PubChem CID135095881
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide
SMILESCCCc1nc(C)cc(N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1
InChIInChI=1S/C15H26N4O3S/c1-5-6-14-16-11(2)7-15(18-14)17-13-9-22-8-12(13)10-23(20,21)19(3)4/h7,12-13H,5-6,8-10H2,1-4H3,(H,16,17,18)/t12-,13-/m0/s1
InChIKeyVAZVMDURLIRAGS-STQMWFEESA-N
XLogP1.06
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide?
The IUPAC name of N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide (CID 135095881) is N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide is CCCc1nc(C)cc(N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide?
The InChIKey is VAZVMDURLIRAGS-STQMWFEESA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-5-6-14-16-11(2)7-15(18-14)17-13-9-22-8-12(13)10-23(20,21)19(3)4/h7,12-13H,5-6,8-10H2,1-4H3,(H,16,17,18)/t12-,13-/m0/s1.
What are the key properties of N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide?
N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide has a molecular weight of 342.47 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 135095881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).