1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one

C16H30N2OS — CID 70822265

IUPAC1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one
SMILESCCCC(CC)C(=O)N1CC2(CCN(C)CC2)SC1C
InChIInChI=1S/C16H30N2OS/c1-5-7-14(6-2)15(19)18-12-16(20-13(18)3)8-10-17(4)11-9-16/h13-14H,5-12H2,1-4H3
InChIKeyJSALSZYIIBJNQK-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.20
Rot. Bonds4

About 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one

1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one (PubChem CID 70822265) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one.

Molecular Properties

Compound Name1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one
PubChem CID70822265
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC Name1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one
SMILESCCCC(CC)C(=O)N1CC2(CCN(C)CC2)SC1C
InChIInChI=1S/C16H30N2OS/c1-5-7-14(6-2)15(19)18-12-16(20-13(18)3)8-10-17(4)11-9-16/h13-14H,5-12H2,1-4H3
InChIKeyJSALSZYIIBJNQK-UHFFFAOYSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one with MolForge

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Related Compounds

1-[3-(1-Acetyl-4-piperidyl)-1-pyrrolidinyl]-2-(methylsulfanyl)-1-ethanone
CID 91921280
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1-(1,4-Dithiepan-6-yl)-4-[3-oxo-3-(1-pyrrolidinyl)propyl]piperidine
CID 42507557
1-(2,8-Dimethyl-1-thia-3,8-diazaspiro[4.5]dec-3-yl)-2-propylpentan-1-one
CID 46846801
1-(2,8-Dimethyl-1-thia-3,8-diaza-spiro[4.5]dec-3-yl)-propan-1-one
CID 46846805
6-Ethylsulfanyl-1,4-dimethylpiperidin-2-one
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(1-Methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone
CID 57565664
2,2-Diethyl-4-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 57700902
(3R,6R,8aR)-3,6-di(propan-2-yl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 57790124
4-Methyl-1-thiomorpholin-4-ylpentan-1-one
CID 58449972
(2S,3R)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 58542192
(2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one?
The IUPAC name of 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one (CID 70822265) is 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one.
What is the SMILES notation for 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one?
The canonical SMILES for 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one is CCCC(CC)C(=O)N1CC2(CCN(C)CC2)SC1C.
What is the InChIKey of 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one?
The InChIKey is JSALSZYIIBJNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-5-7-14(6-2)15(19)18-12-16(20-13(18)3)8-10-17(4)11-9-16/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one?
1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one has a molecular weight of 298.50 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one is sourced from PubChem (CID 70822265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).