2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C10H18N2OS — CID 11528611

IUPAC2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCC1SC2(CCN(C)CC2)NC1=O
InChIInChI=1S/C10H18N2OS/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyPHOZOHFUXHPOCK-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.05
Rot. Bonds1

About 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 11528611) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID11528611
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCC1SC2(CCN(C)CC2)NC1=O
InChIInChI=1S/C10H18N2OS/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyPHOZOHFUXHPOCK-UHFFFAOYSA-N
XLogP1.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ngx-267
CID 10013505
1-[3-(Thian-4-ylamino)pyrrolidin-1-yl]propan-1-one
CID 71969178
(2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 118732904
2,8-Dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 22139651
8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919141
1-Thia-4,8-diazaspiro[4.5]decan-3-one
CID 10419642
(S)-2-Ethyl-1-thia-4,8-diaza-spiro[4.5]decan-3-one
CID 9794221
(2R)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 9990391
(2S)-2-ethyl-8-methyl-1-oxo-1lambda4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 10014086
(2S)-2-ethyl-8-methyl-8-oxido-1-thia-4-aza-8-azoniaspiro[4.5]decan-3-one
CID 10331442
1-Thia-4,8-diazaspiro[4.5]decan-3-one, 2-ethyl-
CID 10352764
Piperidine, 1-[[(4R)-2,2-dimethyl-4-thiazolidinyl]carbonyl]-
CID 11501046

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 11528611) is 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CCC1SC2(CCN(C)CC2)NC1=O.
What is the InChIKey of 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PHOZOHFUXHPOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10/h8H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 214.33 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 11528611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).