2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide

C12H19N3O2S2 — CID 166160366

IUPAC2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide
SMILESCSc1ccnc(C2(NS(=O)C(C)(C)C)COC2)n1
InChIInChI=1S/C12H19N3O2S2/c1-11(2,3)19(16)15-12(7-17-8-12)10-13-6-5-9(14-10)18-4/h5-6,15H,7-8H2,1-4H3
InChIKeyZJWSRAQNNWLITE-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.48
Rot. Bonds4

About 2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide

2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide (PubChem CID 166160366) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide
PubChem CID166160366
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide
SMILESCSc1ccnc(C2(NS(=O)C(C)(C)C)COC2)n1
InChIInChI=1S/C12H19N3O2S2/c1-11(2,3)19(16)15-12(7-17-8-12)10-13-6-5-9(14-10)18-4/h5-6,15H,7-8H2,1-4H3
InChIKeyZJWSRAQNNWLITE-UHFFFAOYSA-N
XLogP1.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide (CID 166160366) is 2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide is CSc1ccnc(C2(NS(=O)C(C)(C)C)COC2)n1.
What is the InChIKey of 2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide?
The InChIKey is ZJWSRAQNNWLITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-11(2,3)19(16)15-12(7-17-8-12)10-13-6-5-9(14-10)18-4/h5-6,15H,7-8H2,1-4H3.
What are the key properties of 2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide?
2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide has a molecular weight of 301.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 166160366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).