(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C18H28N2O2S — CID 97375572

IUPAC(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccsc2)CCC[C@]12CCC(=O)N2CCOC
InChIInChI=1S/C18H28N2O2S/c1-3-16-18(8-5-17(21)20(18)10-11-22-2)7-4-9-19(16)13-15-6-12-23-14-15/h6,12,14,16H,3-5,7-11,13H2,1-2H3/t16-,18-/m0/s1
InChIKeyJBFOSICVZPLISV-WMZOPIPTSA-N
MW336.50 g/mol
LogP3.13
Rot. Bonds6

About (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97375572) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97375572
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccsc2)CCC[C@]12CCC(=O)N2CCOC
InChIInChI=1S/C18H28N2O2S/c1-3-16-18(8-5-17(21)20(18)10-11-22-2)7-4-9-19(16)13-15-6-12-23-14-15/h6,12,14,16H,3-5,7-11,13H2,1-2H3/t16-,18-/m0/s1
InChIKeyJBFOSICVZPLISV-WMZOPIPTSA-N
XLogP3.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97375572) is (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(Cc2ccsc2)CCC[C@]12CCC(=O)N2CCOC.
What is the InChIKey of (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is JBFOSICVZPLISV-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-3-16-18(8-5-17(21)20(18)10-11-22-2)7-4-9-19(16)13-15-6-12-23-14-15/h6,12,14,16H,3-5,7-11,13H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 336.50 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97375572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).