2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide

C13H20N2O2S — CID 126657372

IUPAC2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide
SMILESCc1ccc(C2(NS(=O)C(C)(C)C)COC2)nc1
InChIInChI=1S/C13H20N2O2S/c1-10-5-6-11(14-7-10)13(8-17-9-13)15-18(16)12(2,3)4/h5-7,15H,8-9H2,1-4H3
InChIKeyOCPJELMXCPLVBI-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.67
Rot. Bonds3

About 2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide

2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide (PubChem CID 126657372) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide
PubChem CID126657372
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide
SMILESCc1ccc(C2(NS(=O)C(C)(C)C)COC2)nc1
InChIInChI=1S/C13H20N2O2S/c1-10-5-6-11(14-7-10)13(8-17-9-13)15-18(16)12(2,3)4/h5-7,15H,8-9H2,1-4H3
InChIKeyOCPJELMXCPLVBI-UHFFFAOYSA-N
XLogP1.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide (CID 126657372) is 2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide is Cc1ccc(C2(NS(=O)C(C)(C)C)COC2)nc1.
What is the InChIKey of 2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide?
The InChIKey is OCPJELMXCPLVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-5-6-11(14-7-10)13(8-17-9-13)15-18(16)12(2,3)4/h5-7,15H,8-9H2,1-4H3.
What are the key properties of 2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide?
2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide has a molecular weight of 268.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(5-methyl-2-pyridinyl)oxetan-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 126657372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).