3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C12H14N2O3S — CID 67727142

IUPAC3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1csc(N2C(=O)NC3(CCOCC3)C2=O)c1
InChIInChI=1S/C12H14N2O3S/c1-8-6-9(18-7-8)14-10(15)12(13-11(14)16)2-4-17-5-3-12/h6-7H,2-5H2,1H3,(H,13,16)
InChIKeyXEVDMITZLDNEDR-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.66
Rot. Bonds1

About 3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 67727142) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID67727142
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1csc(N2C(=O)NC3(CCOCC3)C2=O)c1
InChIInChI=1S/C12H14N2O3S/c1-8-6-9(18-7-8)14-10(15)12(13-11(14)16)2-4-17-5-3-12/h6-7H,2-5H2,1H3,(H,13,16)
InChIKeyXEVDMITZLDNEDR-UHFFFAOYSA-N
XLogP1.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 67727142) is 3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1csc(N2C(=O)NC3(CCOCC3)C2=O)c1.
What is the InChIKey of 3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is XEVDMITZLDNEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8-6-9(18-7-8)14-10(15)12(13-11(14)16)2-4-17-5-3-12/h6-7H,2-5H2,1H3,(H,13,16).
What are the key properties of 3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 266.32 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylthiophen-2-yl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 67727142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).