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

C8H12FN3O3S — CID 122701438

IUPAC(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
SMILESCO[C@H](c1ncc(F)cn1)[C@H](C)S(N)(=O)=O
InChIInChI=1S/C8H12FN3O3S/c1-5(16(10,13)14)7(15-2)8-11-3-6(9)4-12-8/h3-5,7H,1-2H3,(H2,10,13,14)/t5-,7-/m0/s1
InChIKeyOPQLXIPWDATKSP-FSPLSTOPSA-N
MW249.27 g/mol
LogP-0.02
Rot. Bonds4

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

(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide (PubChem CID 122701438) has the molecular formula C8H12FN3O3S and a molecular weight of 249.27 g/mol. Its IUPAC name is (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide.

Molecular Properties

Compound Name(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
PubChem CID122701438
Molecular FormulaC8H12FN3O3S
Molecular Weight249.27 g/mol
Exact Mass249.06
IUPAC Name(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
SMILESCO[C@H](c1ncc(F)cn1)[C@H](C)S(N)(=O)=O
InChIInChI=1S/C8H12FN3O3S/c1-5(16(10,13)14)7(15-2)8-11-3-6(9)4-12-8/h3-5,7H,1-2H3,(H2,10,13,14)/t5-,7-/m0/s1
InChIKeyOPQLXIPWDATKSP-FSPLSTOPSA-N
XLogP-0.02
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide 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-sulfonamide?
The IUPAC name of (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide (CID 122701438) is (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide.
What is the SMILES notation for (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide?
The canonical SMILES for (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide is CO[C@H](c1ncc(F)cn1)[C@H](C)S(N)(=O)=O.
What is the InChIKey of (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide?
The InChIKey is OPQLXIPWDATKSP-FSPLSTOPSA-N. The full InChI is InChI=1S/C8H12FN3O3S/c1-5(16(10,13)14)7(15-2)8-11-3-6(9)4-12-8/h3-5,7H,1-2H3,(H2,10,13,14)/t5-,7-/m0/s1.
What are the key properties of (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide?
(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide has a molecular weight of 249.27 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide is sourced from PubChem (CID 122701438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).