10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione

C16H22N2O2S — CID 64882245

IUPAC10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCCc1ccc(CN2CCC(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C16H22N2O2S/c1-2-12-5-6-13(21-12)11-18-10-7-14(19)17-16(15(18)20)8-3-4-9-16/h5-6H,2-4,7-11H2,1H3,(H,17,19)
InChIKeySLGGVKUTAGQVNA-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.47
Rot. Bonds3

About 10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione

10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 64882245) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID64882245
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCCc1ccc(CN2CCC(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C16H22N2O2S/c1-2-12-5-6-13(21-12)11-18-10-7-14(19)17-16(15(18)20)8-3-4-9-16/h5-6H,2-4,7-11H2,1H3,(H,17,19)
InChIKeySLGGVKUTAGQVNA-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 64882245) is 10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is CCc1ccc(CN2CCC(=O)NC3(CCCC3)C2=O)s1.
What is the InChIKey of 10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is SLGGVKUTAGQVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-12-5-6-13(21-12)11-18-10-7-14(19)17-16(15(18)20)8-3-4-9-16/h5-6H,2-4,7-11H2,1H3,(H,17,19).
What are the key properties of 10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione has a molecular weight of 306.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 64882245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).