9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione

C12H18N2O4S — CID 64957014

IUPAC9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CN(C2CCS(=O)(=O)C2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C12H18N2O4S/c15-10-7-14(9-3-6-19(17,18)8-9)11(16)12(13-10)4-1-2-5-12/h9H,1-8H2,(H,13,15)
InChIKeyGSLPZQHPBXKDJJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP-0.56
Rot. Bonds1

About 9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione

9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64957014) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64957014
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CN(C2CCS(=O)(=O)C2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C12H18N2O4S/c15-10-7-14(9-3-6-19(17,18)8-9)11(16)12(13-10)4-1-2-5-12/h9H,1-8H2,(H,13,15)
InChIKeyGSLPZQHPBXKDJJ-UHFFFAOYSA-N
XLogP-0.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione with MolForge

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Related Compounds

4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64960880
4-cyclopentyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64958417
7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 121207254
1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64957155
4-(3,4-dimethylcyclohexyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64973618
1-(1,1-dioxothian-3-yl)piperazine-2,5-dione
CID 64956222
9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64969132
4-cyclopropyl-9-oxa-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 121207676
4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878820
10-cyclobutyl-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64969522
9-(2-methylcyclopropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64969355
1-(1,1-dioxothian-3-yl)-3-ethylpiperazine-2,5-dione
CID 64971573

Frequently Asked Questions

What is the IUPAC name of 9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64957014) is 9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione is O=C1CN(C2CCS(=O)(=O)C2)C(=O)C2(CCCC2)N1.
What is the InChIKey of 9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is GSLPZQHPBXKDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c15-10-7-14(9-3-6-19(17,18)8-9)11(16)12(13-10)4-1-2-5-12/h9H,1-8H2,(H,13,15).
What are the key properties of 9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 286.35 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64957014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).