(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide

C8H12FN3O2S — CID 126592599

IUPAC(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide
SMILESCO[C@H](c1ncc(F)cn1)[C@H](C)S(N)=O
InChIInChI=1S/C8H12FN3O2S/c1-5(15(10)13)7(14-2)8-11-3-6(9)4-12-8/h3-5,7H,10H2,1-2H3/t5-,7-,15?/m0/s1
InChIKeyWZSVTLSVEZWMEQ-ZAVVNLNXSA-N
MW233.27 g/mol
LogP0.31
Rot. Bonds4

About (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide

(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide (PubChem CID 126592599) has the molecular formula C8H12FN3O2S and a molecular weight of 233.27 g/mol. Its IUPAC name is (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide.

Molecular Properties

Compound Name(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide
PubChem CID126592599
Molecular FormulaC8H12FN3O2S
Molecular Weight233.27 g/mol
Exact Mass233.06
IUPAC Name(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide
SMILESCO[C@H](c1ncc(F)cn1)[C@H](C)S(N)=O
InChIInChI=1S/C8H12FN3O2S/c1-5(15(10)13)7(14-2)8-11-3-6(9)4-12-8/h3-5,7H,10H2,1-2H3/t5-,7-,15?/m0/s1
InChIKeyWZSVTLSVEZWMEQ-ZAVVNLNXSA-N
XLogP0.31
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide 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 (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide?
The IUPAC name of (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide (CID 126592599) is (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide.
What is the SMILES notation for (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide?
The canonical SMILES for (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide is CO[C@H](c1ncc(F)cn1)[C@H](C)S(N)=O.
What is the InChIKey of (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide?
The InChIKey is WZSVTLSVEZWMEQ-ZAVVNLNXSA-N. The full InChI is InChI=1S/C8H12FN3O2S/c1-5(15(10)13)7(14-2)8-11-3-6(9)4-12-8/h3-5,7H,10H2,1-2H3/t5-,7-,15?/m0/s1.
What are the key properties of (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide?
(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide has a molecular weight of 233.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfinamide is sourced from PubChem (CID 126592599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).