(2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride

C9H17ClN2OS — CID 118732904

IUPAC(2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCC[C@@H]1SC2(CCNCC2)NC1=O.Cl
InChIInChI=1S/C9H16N2OS.ClH/c1-2-7-8(12)11-9(13-7)3-5-10-6-4-9;/h7,10H,2-6H2,1H3,(H,11,12);1H/t7-;/m0./s1
InChIKeyPFFGTKWYBYROQF-FJXQXJEOSA-N
MW236.77 g/mol
LogP1.13
Rot. Bonds1

About (2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride

(2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride (PubChem CID 118732904) has the molecular formula C9H17ClN2OS and a molecular weight of 236.77 g/mol. Its IUPAC name is (2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
PubChem CID118732904
Molecular FormulaC9H17ClN2OS
Molecular Weight236.77 g/mol
Exact Mass236.08
IUPAC Name(2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCC[C@@H]1SC2(CCNCC2)NC1=O.Cl
InChIInChI=1S/C9H16N2OS.ClH/c1-2-7-8(12)11-9(13-7)3-5-10-6-4-9;/h7,10H,2-6H2,1H3,(H,11,12);1H/t7-;/m0./s1
InChIKeyPFFGTKWYBYROQF-FJXQXJEOSA-N
XLogP1.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.77
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The IUPAC name of (2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride (CID 118732904) is (2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride.
What is the SMILES notation for (2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The canonical SMILES for (2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride is CC[C@@H]1SC2(CCNCC2)NC1=O.Cl.
What is the InChIKey of (2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The InChIKey is PFFGTKWYBYROQF-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H16N2OS.ClH/c1-2-7-8(12)11-9(13-7)3-5-10-6-4-9;/h7,10H,2-6H2,1H3,(H,11,12);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride?
(2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride has a molecular weight of 236.77 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride is sourced from PubChem (CID 118732904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).