4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H22N2O4S — CID 64960880

IUPAC4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(C2CCS(=O)(=O)CC2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C14H22N2O4S/c17-12-10-16(11-4-8-21(19,20)9-5-11)13(18)14(15-12)6-2-1-3-7-14/h11H,1-10H2,(H,15,17)
InChIKeyLCOSWYXRPZQWCH-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.22
Rot. Bonds1

About 4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64960880) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64960880
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(C2CCS(=O)(=O)CC2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C14H22N2O4S/c17-12-10-16(11-4-8-21(19,20)9-5-11)13(18)14(15-12)6-2-1-3-7-14/h11H,1-10H2,(H,15,17)
InChIKeyLCOSWYXRPZQWCH-UHFFFAOYSA-N
XLogP0.22
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione with MolForge

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Related Compounds

4-cyclopentyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64958417
9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957014
7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 121207254
4-(3,4-dimethylcyclohexyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64973618
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
9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64969132
1-cyclohexyl-3,3-diethylpiperazine-2,5-dione
CID 64958892
1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64957155
4-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879190

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64960880) is 4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione is O=C1CN(C2CCS(=O)(=O)CC2)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is LCOSWYXRPZQWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c17-12-10-16(11-4-8-21(19,20)9-5-11)13(18)14(15-12)6-2-1-3-7-14/h11H,1-10H2,(H,15,17).
What are the key properties of 4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 314.41 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64960880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).