2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide

C11H17N3O2S — CID 67958161

IUPAC2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ncccn2)COC1
InChIInChI=1S/C11H17N3O2S/c1-10(2,3)17(15)14-11(7-16-8-11)9-12-5-4-6-13-9/h4-6,14H,7-8H2,1-3H3
InChIKeyBOOCVEVPCCLQAY-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.75
Rot. Bonds3

About 2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide

2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide (PubChem CID 67958161) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide
PubChem CID67958161
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ncccn2)COC1
InChIInChI=1S/C11H17N3O2S/c1-10(2,3)17(15)14-11(7-16-8-11)9-12-5-4-6-13-9/h4-6,14H,7-8H2,1-3H3
InChIKeyBOOCVEVPCCLQAY-UHFFFAOYSA-N
XLogP0.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide (CID 67958161) is 2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide is CC(C)(C)S(=O)NC1(c2ncccn2)COC1.
What is the InChIKey of 2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide?
The InChIKey is BOOCVEVPCCLQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-10(2,3)17(15)14-11(7-16-8-11)9-12-5-4-6-13-9/h4-6,14H,7-8H2,1-3H3.
What are the key properties of 2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide?
2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide has a molecular weight of 255.34 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide is sourced from PubChem (CID 67958161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).