2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione

C14H21NO2S — CID 84599563

IUPAC2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCSC2)C(=O)N1CC1CCCCC1
InChIInChI=1S/C14H21NO2S/c16-12-8-14(6-7-18-10-14)13(17)15(12)9-11-4-2-1-3-5-11/h11H,1-10H2
InChIKeyCUALPDZMIVIRIZ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.45
Rot. Bonds2

About 2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione

2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 84599563) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID84599563
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCSC2)C(=O)N1CC1CCCCC1
InChIInChI=1S/C14H21NO2S/c16-12-8-14(6-7-18-10-14)13(17)15(12)9-11-4-2-1-3-5-11/h11H,1-10H2
InChIKeyCUALPDZMIVIRIZ-UHFFFAOYSA-N
XLogP2.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione (CID 84599563) is 2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCSC2)C(=O)N1CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is CUALPDZMIVIRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c16-12-8-14(6-7-18-10-14)13(17)15(12)9-11-4-2-1-3-5-11/h11H,1-10H2.
What are the key properties of 2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 267.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 84599563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).