9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione

C15H19ClN2O2S — CID 64885696

IUPAC9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCC1C(=O)NC2(CCCC2)C(=O)N1Cc1ccc(Cl)s1
InChIInChI=1S/C15H19ClN2O2S/c1-2-11-13(19)17-15(7-3-4-8-15)14(20)18(11)9-10-5-6-12(16)21-10/h5-6,11H,2-4,7-9H2,1H3,(H,17,19)
InChIKeyVEWLEDRNQGCAGE-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.95
Rot. Bonds3

About 9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione

9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64885696) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64885696
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCC1C(=O)NC2(CCCC2)C(=O)N1Cc1ccc(Cl)s1
InChIInChI=1S/C15H19ClN2O2S/c1-2-11-13(19)17-15(7-3-4-8-15)14(20)18(11)9-10-5-6-12(16)21-10/h5-6,11H,2-4,7-9H2,1H3,(H,17,19)
InChIKeyVEWLEDRNQGCAGE-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64885696) is 9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione is CCC1C(=O)NC2(CCCC2)C(=O)N1Cc1ccc(Cl)s1.
What is the InChIKey of 9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is VEWLEDRNQGCAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-2-11-13(19)17-15(7-3-4-8-15)14(20)18(11)9-10-5-6-12(16)21-10/h5-6,11H,2-4,7-9H2,1H3,(H,17,19).
What are the key properties of 9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione?
9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 326.85 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-chlorothiophen-2-yl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64885696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).