2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine

C15H24NO3PS — CID 88970678

IUPAC2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine
SMILESCC(C)OP(=O)(CC1Sc2ncccc2C1C)OC(C)C
InChIInChI=1S/C15H24NO3PS/c1-10(2)18-20(17,19-11(3)4)9-14-12(5)13-7-6-8-16-15(13)21-14/h6-8,10-12,14H,9H2,1-5H3
InChIKeyUHVOBXLMCKXGCL-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.70
Rot. Bonds6

About 2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine

2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine (PubChem CID 88970678) has the molecular formula C15H24NO3PS and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine
PubChem CID88970678
Molecular FormulaC15H24NO3PS
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine
SMILESCC(C)OP(=O)(CC1Sc2ncccc2C1C)OC(C)C
InChIInChI=1S/C15H24NO3PS/c1-10(2)18-20(17,19-11(3)4)9-14-12(5)13-7-6-8-16-15(13)21-14/h6-8,10-12,14H,9H2,1-5H3
InChIKeyUHVOBXLMCKXGCL-UHFFFAOYSA-N
XLogP4.70
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine?
The IUPAC name of 2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine (CID 88970678) is 2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine.
What is the SMILES notation for 2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine?
The canonical SMILES for 2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine is CC(C)OP(=O)(CC1Sc2ncccc2C1C)OC(C)C.
What is the InChIKey of 2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine?
The InChIKey is UHVOBXLMCKXGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO3PS/c1-10(2)18-20(17,19-11(3)4)9-14-12(5)13-7-6-8-16-15(13)21-14/h6-8,10-12,14H,9H2,1-5H3.
What are the key properties of 2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine?
2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine has a molecular weight of 329.40 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yloxy)phosphorylmethyl]-3-methyl-2,3-dihydrothieno[2,3-b]pyridine is sourced from PubChem (CID 88970678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).