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

C15H22N2OS — CID 97375528

IUPAC(5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2cccs2)CCC[C@]12CCC(=O)N2
InChIInChI=1S/C15H22N2OS/c1-2-13-15(8-6-14(18)16-15)7-4-9-17(13)11-12-5-3-10-19-12/h3,5,10,13H,2,4,6-9,11H2,1H3,(H,16,18)/t13-,15-/m0/s1
InChIKeyRTKRQVDUPQYPAE-ZFWWWQNUSA-N
MW278.42 g/mol
LogP2.77
Rot. Bonds3

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

(5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97375528) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97375528
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2cccs2)CCC[C@]12CCC(=O)N2
InChIInChI=1S/C15H22N2OS/c1-2-13-15(8-6-14(18)16-15)7-4-9-17(13)11-12-5-3-10-19-12/h3,5,10,13H,2,4,6-9,11H2,1H3,(H,16,18)/t13-,15-/m0/s1
InChIKeyRTKRQVDUPQYPAE-ZFWWWQNUSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97375528) is (5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(Cc2cccs2)CCC[C@]12CCC(=O)N2.
What is the InChIKey of (5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is RTKRQVDUPQYPAE-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-13-15(8-6-14(18)16-15)7-4-9-17(13)11-12-5-3-10-19-12/h3,5,10,13H,2,4,6-9,11H2,1H3,(H,16,18)/t13-,15-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 278.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-10-ethyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97375528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).