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

C18H26N2O3S — CID 97375583

IUPAC(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(C(=O)c2ccsc2)CCC[C@]12CCC(=O)N2CCOC
InChIInChI=1S/C18H26N2O3S/c1-3-15-18(8-5-16(21)20(18)10-11-23-2)7-4-9-19(15)17(22)14-6-12-24-13-14/h6,12-13,15H,3-5,7-11H2,1-2H3/t15-,18-/m0/s1
InChIKeyPNAJIMNGNJQOCF-YJBOKZPZSA-N
MW350.48 g/mol
LogP2.77
Rot. Bonds5

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

(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97375583) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97375583
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(C(=O)c2ccsc2)CCC[C@]12CCC(=O)N2CCOC
InChIInChI=1S/C18H26N2O3S/c1-3-15-18(8-5-16(21)20(18)10-11-23-2)7-4-9-19(15)17(22)14-6-12-24-13-14/h6,12-13,15H,3-5,7-11H2,1-2H3/t15-,18-/m0/s1
InChIKeyPNAJIMNGNJQOCF-YJBOKZPZSA-N
XLogP2.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 124818428
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(pyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155829364
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 127023277
(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 124799351
(5S,10S)-10-ethyl-1-methyl-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375565
(3aS,8aS)-2-(2-methoxyethyl)-5-(thiophene-3-carbonyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 124790409
N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide
CID 134070826
(5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 97484451
(5S,10S)-10-ethyl-1-methyl-9-(2-methylfuran-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375561
(5S,10S)-10-ethyl-1-methyl-9-(pyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155837081
(4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94117809
[11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
CID 131661217

Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97375583) is (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(C(=O)c2ccsc2)CCC[C@]12CCC(=O)N2CCOC.
What is the InChIKey of (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is PNAJIMNGNJQOCF-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-3-15-18(8-5-16(21)20(18)10-11-23-2)7-4-9-19(15)17(22)14-6-12-24-13-14/h6,12-13,15H,3-5,7-11H2,1-2H3/t15-,18-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 350.48 g/mol, XLogP of 2.77, 5 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-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97375583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).