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

C13H20N2O4S — CID 64969132

IUPAC9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CN(CC2CCS(=O)(=O)C2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C13H20N2O4S/c16-11-8-15(7-10-3-6-20(18,19)9-10)12(17)13(14-11)4-1-2-5-13/h10H,1-9H2,(H,14,16)
InChIKeyKCXFONDDMVHZBX-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.31
Rot. Bonds2

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

9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64969132) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64969132
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CN(CC2CCS(=O)(=O)C2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C13H20N2O4S/c16-11-8-15(7-10-3-6-20(18,19)9-10)12(17)13(14-11)4-1-2-5-13/h10H,1-9H2,(H,14,16)
InChIKeyKCXFONDDMVHZBX-UHFFFAOYSA-N
XLogP-0.31
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107298582
9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957014
4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878807
4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64963520
4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64960880
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
9-prop-2-ynyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64963783
9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880199
9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64959195

Frequently Asked Questions

What is the IUPAC name of 9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64969132) is 9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is O=C1CN(CC2CCS(=O)(=O)C2)C(=O)C2(CCCC2)N1.
What is the InChIKey of 9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is KCXFONDDMVHZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c16-11-8-15(7-10-3-6-20(18,19)9-10)12(17)13(14-11)4-1-2-5-13/h10H,1-9H2,(H,14,16).
What are the key properties of 9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 300.38 g/mol, XLogP of -0.31, 2 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)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64969132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).