2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione

C14H22N2O2S — CID 16640204

IUPAC2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCSC2)C(=O)N1CN1CCCCC1
InChIInChI=1S/C14H22N2O2S/c17-12-9-14(5-4-8-19-10-14)13(18)16(12)11-15-6-2-1-3-7-15/h1-11H2
InChIKeyDTYDMDJZHZMHOM-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.70
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione

2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 16640204) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione
PubChem CID16640204
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCSC2)C(=O)N1CN1CCCCC1
InChIInChI=1S/C14H22N2O2S/c17-12-9-14(5-4-8-19-10-14)13(18)16(12)11-15-6-2-1-3-7-15/h1-11H2
InChIKeyDTYDMDJZHZMHOM-UHFFFAOYSA-N
XLogP1.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione (CID 16640204) is 2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCSC2)C(=O)N1CN1CCCCC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is DTYDMDJZHZMHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c17-12-9-14(5-4-8-19-10-14)13(18)16(12)11-15-6-2-1-3-7-15/h1-11H2.
What are the key properties of 2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione?
2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 282.41 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 16640204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).