1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one

C18H24N2O3S — CID 124912452

IUPAC1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESCc1ccsc1C(=O)N1CC[C@]2(C[C@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C18H24N2O3S/c1-13-5-10-24-16(13)17(22)19-8-6-18(12-19)11-14(4-9-23-18)20-7-2-3-15(20)21/h5,10,14H,2-4,6-9,11-12H2,1H3/t14-,18+/m1/s1
InChIKeyYOFPDBJLMYWYKV-KDOFPFPSSA-N
MW348.47 g/mol
LogP2.44
Rot. Bonds2

About 1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one

1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (PubChem CID 124912452) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
PubChem CID124912452
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESCc1ccsc1C(=O)N1CC[C@]2(C[C@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C18H24N2O3S/c1-13-5-10-24-16(13)17(22)19-8-6-18(12-19)11-14(4-9-23-18)20-7-2-3-15(20)21/h5,10,14H,2-4,6-9,11-12H2,1H3/t14-,18+/m1/s1
InChIKeyYOFPDBJLMYWYKV-KDOFPFPSSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 124810027
1-[(5R,9S)-2-(3-methoxybenzoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 97476789
[(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone
CID 97483949
(3-methylthiophen-2-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91918087
1-[(5S,9R)-2-[(3,5-dimethylphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 124800562
(2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477597
1-[(5S,9S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 124792299
1-[(5R,9R)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155852476
[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone
CID 171915962
[3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155825876
7-(3-methylthiophene-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996200
(5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491420

Frequently Asked Questions

What is the IUPAC name of 1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (CID 124912452) is 1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is Cc1ccsc1C(=O)N1CC[C@]2(C[C@H](N3CCCC3=O)CCO2)C1.
What is the InChIKey of 1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The InChIKey is YOFPDBJLMYWYKV-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13-5-10-24-16(13)17(22)19-8-6-18(12-19)11-14(4-9-23-18)20-7-2-3-15(20)21/h5,10,14H,2-4,6-9,11-12H2,1H3/t14-,18+/m1/s1.
What are the key properties of 1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one has a molecular weight of 348.47 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is sourced from PubChem (CID 124912452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).