1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C15H23N3OS — CID 97495660

IUPAC1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(C)C2(CCN(Cc3ccsc3)CC2)C1=O
InChIInChI=1S/C15H23N3OS/c1-16-8-9-17(2)15(14(16)19)4-6-18(7-5-15)11-13-3-10-20-12-13/h3,10,12H,4-9,11H2,1-2H3
InChIKeyOYGYIFCDCOSAEY-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.49
Rot. Bonds2

About 1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one

1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495660) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495660
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(C)C2(CCN(Cc3ccsc3)CC2)C1=O
InChIInChI=1S/C15H23N3OS/c1-16-8-9-17(2)15(14(16)19)4-6-18(7-5-15)11-13-3-10-20-12-13/h3,10,12H,4-9,11H2,1-2H3
InChIKeyOYGYIFCDCOSAEY-UHFFFAOYSA-N
XLogP1.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495660) is 1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one is CN1CCN(C)C2(CCN(Cc3ccsc3)CC2)C1=O.
What is the InChIKey of 1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is OYGYIFCDCOSAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-16-8-9-17(2)15(14(16)19)4-6-18(7-5-15)11-13-3-10-20-12-13/h3,10,12H,4-9,11H2,1-2H3.
What are the key properties of 1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 293.44 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).