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

C10H19ClN2OS — CID 154731017

IUPAC(2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCC[C@@H]1SC2(CCN(C)CC2)NC1=O.Cl
InChIInChI=1S/C10H18N2OS.ClH/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10;/h8H,3-7H2,1-2H3,(H,11,13);1H/t8-;/m0./s1
InChIKeyBKGJDJVLUHDBNZ-QRPNPIFTSA-N
MW250.79 g/mol
LogP1.47
Rot. Bonds1

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

(2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride (PubChem CID 154731017) has the molecular formula C10H19ClN2OS and a molecular weight of 250.79 g/mol. Its IUPAC name is (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
PubChem CID154731017
Molecular FormulaC10H19ClN2OS
Molecular Weight250.79 g/mol
Exact Mass250.09
IUPAC Name(2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCC[C@@H]1SC2(CCN(C)CC2)NC1=O.Cl
InChIInChI=1S/C10H18N2OS.ClH/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10;/h8H,3-7H2,1-2H3,(H,11,13);1H/t8-;/m0./s1
InChIKeyBKGJDJVLUHDBNZ-QRPNPIFTSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.79
LogP ≤ 51.47
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;hydrochloride?
The IUPAC name of (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride (CID 154731017) is (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride.
What is the SMILES notation for (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The canonical SMILES for (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride is CC[C@@H]1SC2(CCN(C)CC2)NC1=O.Cl.
What is the InChIKey of (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The InChIKey is BKGJDJVLUHDBNZ-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H18N2OS.ClH/c1-3-8-9(13)11-10(14-8)4-6-12(2)7-5-10;/h8H,3-7H2,1-2H3,(H,11,13);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride?
(2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride has a molecular weight of 250.79 g/mol, XLogP of 1.47, 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;hydrochloride is sourced from PubChem (CID 154731017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).