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

C16H24N2OS — CID 97375550

IUPAC(5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccsc2)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C16H24N2OS/c1-3-14-16(8-5-15(19)17(16)2)7-4-9-18(14)11-13-6-10-20-12-13/h6,10,12,14H,3-5,7-9,11H2,1-2H3/t14-,16-/m0/s1
InChIKeyLPTAPQCLFWZXIB-HOCLYGCPSA-N
MW292.45 g/mol
LogP3.11
Rot. Bonds3

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

(5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97375550) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97375550
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccsc2)CCC[C@]12CCC(=O)N2C
InChIInChI=1S/C16H24N2OS/c1-3-14-16(8-5-15(19)17(16)2)7-4-9-18(14)11-13-6-10-20-12-13/h6,10,12,14H,3-5,7-9,11H2,1-2H3/t14-,16-/m0/s1
InChIKeyLPTAPQCLFWZXIB-HOCLYGCPSA-N
XLogP3.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97375550) is (5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(Cc2ccsc2)CCC[C@]12CCC(=O)N2C.
What is the InChIKey of (5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is LPTAPQCLFWZXIB-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-14-16(8-5-15(19)17(16)2)7-4-9-18(14)11-13-6-10-20-12-13/h6,10,12,14H,3-5,7-9,11H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 292.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97375550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).