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

C10H18N2OS — CID 10013505

IUPAC(2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC[C@@H]1SC2(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)/t8-/m0/s1
InChIKeyPHOZOHFUXHPOCK-QMMMGPOBSA-N
MW214.33 g/mol
LogP1.05
Rot. Bonds1

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

(2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 10013505) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID10013505
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name(2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC[C@@H]1SC2(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)/t8-/m0/s1
InChIKeyPHOZOHFUXHPOCK-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 10013505) is (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CC[C@@H]1SC2(CCN(C)CC2)NC1=O.
What is the InChIKey of (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PHOZOHFUXHPOCK-QMMMGPOBSA-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)/t8-/m0/s1.
What are the key properties of (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
(2S)-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 (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 10013505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).