1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone

C11H20N2OS — CID 18738813

IUPAC1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone
SMILESCC(=O)C1CSC2(CCN(C)CC2)N1C
InChIInChI=1S/C11H20N2OS/c1-9(14)10-8-15-11(13(10)3)4-6-12(2)7-5-11/h10H,4-8H2,1-3H3
InChIKeyJZFBAGBPZYKIEU-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.04
Rot. Bonds1

About 1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone

1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone (PubChem CID 18738813) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone.

Molecular Properties

Compound Name1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone
PubChem CID18738813
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone
SMILESCC(=O)C1CSC2(CCN(C)CC2)N1C
InChIInChI=1S/C11H20N2OS/c1-9(14)10-8-15-11(13(10)3)4-6-12(2)7-5-11/h10H,4-8H2,1-3H3
InChIKeyJZFBAGBPZYKIEU-UHFFFAOYSA-N
XLogP1.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-8-methyl-4-[(2R)-2-methyl-3-sulfanylpropanoyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 88676857
4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919121
4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919129
N-[3-(diethylamino)propyl]-8-methyl-4-propanoyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919135
1-(1,2-dimethylazetidin-2-yl)ethanone
CID 130343037
1-[1-methyl-4-(methylamino)piperidin-4-yl]ethanone
CID 121279965
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
1-[2-methyl-2,3-bis(oxomethyl)-1,3-thiazolidin-4-yl]ethanone;tungsten;yttrium
CID 147571637
1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone
CID 178047336
1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane
CID 145087578
(1,4-dimethylpiperidin-4-yl)urea
CID 90712934
ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid
CID 166471402

Frequently Asked Questions

What is the IUPAC name of 1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone?
The IUPAC name of 1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone (CID 18738813) is 1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone.
What is the SMILES notation for 1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone?
The canonical SMILES for 1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone is CC(=O)C1CSC2(CCN(C)CC2)N1C.
What is the InChIKey of 1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone?
The InChIKey is JZFBAGBPZYKIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9(14)10-8-15-11(13(10)3)4-6-12(2)7-5-11/h10H,4-8H2,1-3H3.
What are the key properties of 1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone?
1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone has a molecular weight of 228.36 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-yl)ethanone is sourced from PubChem (CID 18738813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).