2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine

C10H14FN3O3S — CID 129356367

IUPAC2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine
SMILESCCS(=O)(=O)N1CC[C@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C10H14FN3O3S/c1-2-18(15,16)14-4-3-9(7-14)17-10-12-5-8(11)6-13-10/h5-6,9H,2-4,7H2,1H3/t9-/m0/s1
InChIKeyXVLONJNWGKJBNW-VIFPVBQESA-N
MW275.30 g/mol
LogP0.42
Rot. Bonds4

About 2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine

2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine (PubChem CID 129356367) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine
PubChem CID129356367
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine
SMILESCCS(=O)(=O)N1CC[C@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C10H14FN3O3S/c1-2-18(15,16)14-4-3-9(7-14)17-10-12-5-8(11)6-13-10/h5-6,9H,2-4,7H2,1H3/t9-/m0/s1
InChIKeyXVLONJNWGKJBNW-VIFPVBQESA-N
XLogP0.42
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine?
The IUPAC name of 2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine (CID 129356367) is 2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine.
What is the SMILES notation for 2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine?
The canonical SMILES for 2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine is CCS(=O)(=O)N1CC[C@H](Oc2ncc(F)cn2)C1.
What is the InChIKey of 2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine?
The InChIKey is XVLONJNWGKJBNW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-2-18(15,16)14-4-3-9(7-14)17-10-12-5-8(11)6-13-10/h5-6,9H,2-4,7H2,1H3/t9-/m0/s1.
What are the key properties of 2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine?
2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine has a molecular weight of 275.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-5-fluoropyrimidine is sourced from PubChem (CID 129356367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).