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

C18H25N3O2S — CID 131662037

IUPAC2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccsc2)CC12CCN(C(=O)C1CCCC1)C2
InChIInChI=1S/C18H25N3O2S/c1-19-10-16(22)21(15-6-9-24-11-15)13-18(19)7-8-20(12-18)17(23)14-4-2-3-5-14/h6,9,11,14H,2-5,7-8,10,12-13H2,1H3
InChIKeyAPPMODCOHYBCID-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.19
Rot. Bonds2

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

2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131662037) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID131662037
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccsc2)CC12CCN(C(=O)C1CCCC1)C2
InChIInChI=1S/C18H25N3O2S/c1-19-10-16(22)21(15-6-9-24-11-15)13-18(19)7-8-20(12-18)17(23)14-4-2-3-5-14/h6,9,11,14H,2-5,7-8,10,12-13H2,1H3
InChIKeyAPPMODCOHYBCID-UHFFFAOYSA-N
XLogP2.19
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
6-methyl-2-(3-phenylpropanoyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131652304
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
N-(2-fluorophenyl)-6-methyl-8-oxo-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131650297
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
N-cyclopentyl-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131649936
6-methyl-2-(2-methylpropylsulfonyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 118743760
6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131644805
6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 118745523
2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131638275
6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 134073025

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (CID 131662037) is 2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2ccsc2)CC12CCN(C(=O)C1CCCC1)C2.
What is the InChIKey of 2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is APPMODCOHYBCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-19-10-16(22)21(15-6-9-24-11-15)13-18(19)7-8-20(12-18)17(23)14-4-2-3-5-14/h6,9,11,14H,2-5,7-8,10,12-13H2,1H3.
What are the key properties of 2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 347.48 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131662037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).