6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

C12H17N3OS — CID 131644805

IUPAC6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccsc2)CC12CCNC2
InChIInChI=1S/C12H17N3OS/c1-14-6-11(16)15(10-2-5-17-7-10)9-12(14)3-4-13-8-12/h2,5,7,13H,3-4,6,8-9H2,1H3
InChIKeyQZQXWHSKBOGGMO-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.76
Rot. Bonds1

About 6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131644805) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID131644805
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccsc2)CC12CCNC2
InChIInChI=1S/C12H17N3OS/c1-14-6-11(16)15(10-2-5-17-7-10)9-12(14)3-4-13-8-12/h2,5,7,13H,3-4,6,8-9H2,1H3
InChIKeyQZQXWHSKBOGGMO-UHFFFAOYSA-N
XLogP0.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 118743760
2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131662037
6-methyl-2-methylsulfonyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 118744259
6-methyl-2-(3-phenylpropanoyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131652304
6-methyl-2-(pyrrolidine-1-carbonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 118745326
N-(2-fluorophenyl)-6-methyl-8-oxo-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131650297
6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118745525
6-methyl-2-(thiophene-2-carbonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155843942
2-(2-cyclopentylacetyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 118745341
2-(2-fluorophenyl)sulfonyl-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155841712
6-methyl-2-(pyridin-2-ylmethyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
CID 171685957
6-methyl-2-[(6-methyl-2-pyridinyl)methyl]-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
CID 155841748

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (CID 131644805) is 6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2ccsc2)CC12CCNC2.
What is the InChIKey of 6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is QZQXWHSKBOGGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-14-6-11(16)15(10-2-5-17-7-10)9-12(14)3-4-13-8-12/h2,5,7,13H,3-4,6,8-9H2,1H3.
What are the key properties of 6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 251.35 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131644805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).