tert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin

C16H24N2O2Sn — CID 141223505

IUPACtert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin
SMILESC[C@@H]1CN(c2cnc([Sn]C(C)(C)C)cc2C=O)C[C@H](C)O1
InChIInChI=1S/C12H15N2O2.C4H9.Sn/c1-9-6-14(7-10(2)16-9)12-5-13-4-3-11(12)8-15;1-4(2)3;/h3,5,8-10H,6-7H2,1-2H3;1-3H3;/t9-,10+;;
InChIKeyKVLDGKVBSYWDHM-BUQWBUBUSA-N
MW395.09 g/mol
LogP2.06
Rot. Bonds3

About tert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin

tert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin (PubChem CID 141223505) has the molecular formula C16H24N2O2Sn and a molecular weight of 395.09 g/mol. Its IUPAC name is tert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin.

Molecular Properties

Compound Nametert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin
PubChem CID141223505
Molecular FormulaC16H24N2O2Sn
Molecular Weight395.09 g/mol
Exact Mass396.09
IUPAC Nametert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin
SMILESC[C@@H]1CN(c2cnc([Sn]C(C)(C)C)cc2C=O)C[C@H](C)O1
InChIInChI=1S/C12H15N2O2.C4H9.Sn/c1-9-6-14(7-10(2)16-9)12-5-13-4-3-11(12)8-15;1-4(2)3;/h3,5,8-10H,6-7H2,1-2H3;1-3H3;/t9-,10+;;
InChIKeyKVLDGKVBSYWDHM-BUQWBUBUSA-N
XLogP2.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.09
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin?
The IUPAC name of tert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin (CID 141223505) is tert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin.
What is the SMILES notation for tert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin?
The canonical SMILES for tert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin is C[C@@H]1CN(c2cnc([Sn]C(C)(C)C)cc2C=O)C[C@H](C)O1.
What is the InChIKey of tert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin?
The InChIKey is KVLDGKVBSYWDHM-BUQWBUBUSA-N. The full InChI is InChI=1S/C12H15N2O2.C4H9.Sn/c1-9-6-14(7-10(2)16-9)12-5-13-4-3-11(12)8-15;1-4(2)3;/h3,5,8-10H,6-7H2,1-2H3;1-3H3;/t9-,10+;;.
What are the key properties of tert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin?
tert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin has a molecular weight of 395.09 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]tin is sourced from PubChem (CID 141223505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).