8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C13H22N2O2S — CID 113466968

IUPAC8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCSC(C)CN1C(=O)C2(CCCC2)NC(=O)C1C
InChIInChI=1S/C13H22N2O2S/c1-9(18-3)8-15-10(2)11(16)14-13(12(15)17)6-4-5-7-13/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyGIIBXMAWNCZPBA-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.40
Rot. Bonds3

About 8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 113466968) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID113466968
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCSC(C)CN1C(=O)C2(CCCC2)NC(=O)C1C
InChIInChI=1S/C13H22N2O2S/c1-9(18-3)8-15-10(2)11(16)14-13(12(15)17)6-4-5-7-13/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyGIIBXMAWNCZPBA-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 83145037
8-methyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887057
4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887432
8-methyl-9-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886681
9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872
9-(2-ethylhexyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885340
8-methyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887442
9-(2-methylsulfanylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64971532
3-methyl-4-[(2-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107420986
8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 116627679
9-butan-2-yl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957601
8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886104

Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 113466968) is 8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CSC(C)CN1C(=O)C2(CCCC2)NC(=O)C1C.
What is the InChIKey of 8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is GIIBXMAWNCZPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(18-3)8-15-10(2)11(16)14-13(12(15)17)6-4-5-7-13/h9-10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 270.40 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 113466968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).