3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C21H23N3O3S2 — CID 40797413

IUPAC3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCc2sccc2[C@H]1c1cccs1
InChIInChI=1S/C21H23N3O3S2/c25-17(6-11-24-19(26)21(22-20(24)27)8-1-2-9-21)23-10-5-15-14(7-13-29-15)18(23)16-4-3-12-28-16/h3-4,7,12-13,18H,1-2,5-6,8-11H2,(H,22,27)/t18-/m0/s1
InChIKeyLQUXWXMORNQFDU-SFHVURJKSA-N
MW429.57 g/mol
LogP3.54
Rot. Bonds4

About 3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 40797413) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID40797413
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC Name3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCc2sccc2[C@H]1c1cccs1
InChIInChI=1S/C21H23N3O3S2/c25-17(6-11-24-19(26)21(22-20(24)27)8-1-2-9-21)23-10-5-15-14(7-13-29-15)18(23)16-4-3-12-28-16/h3-4,7,12-13,18H,1-2,5-6,8-11H2,(H,22,27)/t18-/m0/s1
InChIKeyLQUXWXMORNQFDU-SFHVURJKSA-N
XLogP3.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione with MolForge

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Related Compounds

5,5-dimethyl-3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]imidazolidine-2,4-dione
CID 9075820
(5S)-5-ethyl-5-methyl-3-[2-oxo-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]imidazolidine-2,4-dione
CID 40844552
1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione
CID 9075375
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
CID 17471326
8-tert-butyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55429540
2-[3-oxo-3-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]isoindole-1,3-dione
CID 17467414
3-(2-methoxyphenyl)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 9075123
2-(4-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074713
2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 47015675
2-(2-propan-2-ylphenoxy)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075079
3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one
CID 17494738
2-(4-methoxyphenyl)sulfanyl-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075414

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 40797413) is 3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCc2sccc2[C@H]1c1cccs1.
What is the InChIKey of 3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is LQUXWXMORNQFDU-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c25-17(6-11-24-19(26)21(22-20(24)27)8-1-2-9-21)23-10-5-15-14(7-13-29-15)18(23)16-4-3-12-28-16/h3-4,7,12-13,18H,1-2,5-6,8-11H2,(H,22,27)/t18-/m0/s1.
What are the key properties of 3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 429.57 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 40797413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).