4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H22N2O2S — CID 107298582

IUPAC4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(CC2CCSC2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C14H22N2O2S/c17-12-9-16(8-11-4-7-19-10-11)13(18)14(15-12)5-2-1-3-6-14/h11H,1-10H2,(H,15,17)
InChIKeyAYQPFTCXWXEFCJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.40
Rot. Bonds2

About 4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 107298582) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID107298582
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(CC2CCSC2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C14H22N2O2S/c17-12-9-16(8-11-4-7-19-10-11)13(18)14(15-12)5-2-1-3-6-14/h11H,1-10H2,(H,15,17)
InChIKeyAYQPFTCXWXEFCJ-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960256
4-[(4-methylcyclohexyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970304
3-cyclopropyl-3-methyl-1-(thiolan-3-ylmethyl)piperazine-2,5-dione
CID 107298540
9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64969132
4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64963520
4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878807
4-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879190
4-[(5-methyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 103142003
2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107299046
9-prop-2-ynyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64963783
2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107298986
4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878815

Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 107298582) is 4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is O=C1CN(CC2CCSC2)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is AYQPFTCXWXEFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c17-12-9-16(8-11-4-7-19-10-11)13(18)14(15-12)5-2-1-3-6-14/h11H,1-10H2,(H,15,17).
What are the key properties of 4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 282.41 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 107298582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).