9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C16H22N2O2S — CID 64966321

IUPAC9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCC(c1cccs1)N1CC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H22N2O2S/c1-2-6-12(13-7-5-10-21-13)18-11-14(19)17-16(15(18)20)8-3-4-9-16/h5,7,10,12H,2-4,6,8-9,11H2,1H3,(H,17,19)
InChIKeyQIVXELYHPZEXOT-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.86
Rot. Bonds4

About 9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione

9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64966321) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64966321
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCC(c1cccs1)N1CC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H22N2O2S/c1-2-6-12(13-7-5-10-21-13)18-11-14(19)17-16(15(18)20)8-3-4-9-16/h5,7,10,12H,2-4,6,8-9,11H2,1H3,(H,17,19)
InChIKeyQIVXELYHPZEXOT-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64966321) is 9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CCCC(c1cccs1)N1CC(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is QIVXELYHPZEXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-6-12(13-7-5-10-21-13)18-11-14(19)17-16(15(18)20)8-3-4-9-16/h5,7,10,12H,2-4,6,8-9,11H2,1H3,(H,17,19).
What are the key properties of 9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 306.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64966321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).