1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide

C13H21FN4O3S — CID 135090383

IUPAC1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCCc1ncnc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1F
InChIInChI=1S/C13H21FN4O3S/c1-4-10-12(14)13(16-8-15-10)17-11-6-21-5-9(11)7-22(19,20)18(2)3/h8-9,11H,4-7H2,1-3H3,(H,15,16,17)/t9-,11+/m0/s1
InChIKeyJARXCWGMAJFKEH-GXSJLCMTSA-N
MW332.40 g/mol
LogP0.50
Rot. Bonds6

About 1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide

1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 135090383) has the molecular formula C13H21FN4O3S and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
PubChem CID135090383
Molecular FormulaC13H21FN4O3S
Molecular Weight332.40 g/mol
Exact Mass332.13
IUPAC Name1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCCc1ncnc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1F
InChIInChI=1S/C13H21FN4O3S/c1-4-10-12(14)13(16-8-15-10)17-11-6-21-5-9(11)7-22(19,20)18(2)3/h8-9,11H,4-7H2,1-3H3,(H,15,16,17)/t9-,11+/m0/s1
InChIKeyJARXCWGMAJFKEH-GXSJLCMTSA-N
XLogP0.50
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide (CID 135090383) is 1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide is CCc1ncnc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1F.
What is the InChIKey of 1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is JARXCWGMAJFKEH-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H21FN4O3S/c1-4-10-12(14)13(16-8-15-10)17-11-6-21-5-9(11)7-22(19,20)18(2)3/h8-9,11H,4-7H2,1-3H3,(H,15,16,17)/t9-,11+/m0/s1.
What are the key properties of 1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 332.40 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 135090383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).