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

C15H24N2O2S — CID 80731590

IUPAC10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCC1(CN2CCC(=O)NC3(CCCC3)C2=O)CCCS1
InChIInChI=1S/C15H24N2O2S/c1-14(6-4-10-20-14)11-17-9-5-12(18)16-15(13(17)19)7-2-3-8-15/h2-11H2,1H3,(H,16,18)
InChIKeyPGXCCCSQMRIFQC-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.93
Rot. Bonds2

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

10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 80731590) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID80731590
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCC1(CN2CCC(=O)NC3(CCCC3)C2=O)CCCS1
InChIInChI=1S/C15H24N2O2S/c1-14(6-4-10-20-14)11-17-9-5-12(18)16-15(13(17)19)7-2-3-8-15/h2-11H2,1H3,(H,16,18)
InChIKeyPGXCCCSQMRIFQC-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione with MolForge

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Related Compounds

1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 80730419
1-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 80730835
11-propyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883747
11-(3,3-dimethylbutyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64883163
11-[(2-methylcyclopentyl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 107420950
10-(2,3,3-trimethylbutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 83147466
11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 116645589
10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64882245
11-but-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64972524
10-(1,3-thiazol-2-ylmethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64965758
11-[(4-methyl-1,3-thiazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64966399
10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106045858

Frequently Asked Questions

What is the IUPAC name of 10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 80731590) is 10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is CC1(CN2CCC(=O)NC3(CCCC3)C2=O)CCCS1.
What is the InChIKey of 10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is PGXCCCSQMRIFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-14(6-4-10-20-14)11-17-9-5-12(18)16-15(13(17)19)7-2-3-8-15/h2-11H2,1H3,(H,16,18).
What are the key properties of 10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione has a molecular weight of 296.44 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-methylthiolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 80731590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).