1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one

C15H21NOS — CID 15314484

IUPAC1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one
SMILESCC1(C)CSCC(C)(C)C2(C=CC=CN=C2)C1=O
InChIInChI=1S/C15H21NOS/c1-13(2)10-18-11-14(3,4)15(12(13)17)7-5-6-8-16-9-15/h5-9H,10-11H2,1-4H3
InChIKeyUUMMCOQVDSHTBK-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.50
Rot. Bonds

About 1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one

1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one (PubChem CID 15314484) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one.

Molecular Properties

Compound Name1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one
PubChem CID15314484
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one
SMILESCC1(C)CSCC(C)(C)C2(C=CC=CN=C2)C1=O
InChIInChI=1S/C15H21NOS/c1-13(2)10-18-11-14(3,4)15(12(13)17)7-5-6-8-16-9-15/h5-9H,10-11H2,1-4H3
InChIKeyUUMMCOQVDSHTBK-UHFFFAOYSA-N
XLogP3.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one?
The IUPAC name of 1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one (CID 15314484) is 1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one.
What is the SMILES notation for 1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one?
The canonical SMILES for 1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one is CC1(C)CSCC(C)(C)C2(C=CC=CN=C2)C1=O.
What is the InChIKey of 1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one?
The InChIKey is UUMMCOQVDSHTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-13(2)10-18-11-14(3,4)15(12(13)17)7-5-6-8-16-9-15/h5-9H,10-11H2,1-4H3.
What are the key properties of 1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one?
1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one has a molecular weight of 263.41 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetramethyl-3-thia-9-azaspiro[6.6]trideca-8,10,12-trien-6-one is sourced from PubChem (CID 15314484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).