2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione

C14H14ClNO3S — CID 9208728

IUPAC2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO3S/c15-11-4-3-10(20-11)9(17)8-16-12(18)7-14(13(16)19)5-1-2-6-14/h3-4H,1-2,5-8H2
InChIKeyYMPODESPBGWGJO-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.90
Rot. Bonds3

About 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 9208728) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID9208728
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO3S/c15-11-4-3-10(20-11)9(17)8-16-12(18)7-14(13(16)19)5-1-2-6-14/h3-4H,1-2,5-8H2
InChIKeyYMPODESPBGWGJO-UHFFFAOYSA-N
XLogP2.90
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 9208728) is 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione is O=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is YMPODESPBGWGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c15-11-4-3-10(20-11)9(17)8-16-12(18)7-14(13(16)19)5-1-2-6-14/h3-4H,1-2,5-8H2.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 311.79 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 9208728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).