9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C14H18N2O2S — CID 64879048

IUPAC9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CN(CCc2cccs2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C14H18N2O2S/c17-12-10-16(8-5-11-4-3-9-19-11)13(18)14(15-12)6-1-2-7-14/h3-4,9H,1-2,5-8,10H2,(H,15,17)
InChIKeyKNFNRMOYBDVXBO-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.56
Rot. Bonds3

About 9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64879048) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64879048
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CN(CCc2cccs2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C14H18N2O2S/c17-12-10-16(8-5-11-4-3-9-19-11)13(18)14(15-12)6-1-2-7-14/h3-4,9H,1-2,5-8,10H2,(H,15,17)
InChIKeyKNFNRMOYBDVXBO-UHFFFAOYSA-N
XLogP1.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64879048) is 9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is O=C1CN(CCc2cccs2)C(=O)C2(CCCC2)N1.
What is the InChIKey of 9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is KNFNRMOYBDVXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-12-10-16(8-5-11-4-3-9-19-11)13(18)14(15-12)6-1-2-7-14/h3-4,9H,1-2,5-8,10H2,(H,15,17).
What are the key properties of 9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 278.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64879048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).