4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine

C10H13ClFN3O2S2 — CID 79076105

IUPAC4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C10H13ClFN3O2S2/c1-2-19(16,17)8-6-18-4-3-15(8)9-7(12)5-13-10(11)14-9/h5,8H,2-4,6H2,1H3
InChIKeyQMMTUHADPUIGDO-UHFFFAOYSA-N
MW325.82 g/mol
LogP1.58
Rot. Bonds3

About 4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine

4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine (PubChem CID 79076105) has the molecular formula C10H13ClFN3O2S2 and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine
PubChem CID79076105
Molecular FormulaC10H13ClFN3O2S2
Molecular Weight325.82 g/mol
Exact Mass325.01
IUPAC Name4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C10H13ClFN3O2S2/c1-2-19(16,17)8-6-18-4-3-15(8)9-7(12)5-13-10(11)14-9/h5,8H,2-4,6H2,1H3
InChIKeyQMMTUHADPUIGDO-UHFFFAOYSA-N
XLogP1.58
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine 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 4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine?
The IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine (CID 79076105) is 4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine.
What is the SMILES notation for 4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine?
The canonical SMILES for 4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine is CCS(=O)(=O)C1CSCCN1c1nc(Cl)ncc1F.
What is the InChIKey of 4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine?
The InChIKey is QMMTUHADPUIGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O2S2/c1-2-19(16,17)8-6-18-4-3-15(8)9-7(12)5-13-10(11)14-9/h5,8H,2-4,6H2,1H3.
What are the key properties of 4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine?
4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine has a molecular weight of 325.82 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoropyrimidin-4-yl)-3-ethylsulfonylthiomorpholine is sourced from PubChem (CID 79076105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).