3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one

C19H22N2OS — CID 11709635

IUPAC3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1CCCCN1CCc2sccc2C1
InChIInChI=1S/C19H22N2OS/c22-19-16(15-5-1-2-7-17(15)20-19)6-3-4-10-21-11-8-18-14(13-21)9-12-23-18/h1-2,5,7,9,12,16H,3-4,6,8,10-11,13H2,(H,20,22)
InChIKeyHUTCHNKQEWUFQF-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.01
Rot. Bonds5

About 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one

3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one (PubChem CID 11709635) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one
PubChem CID11709635
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1CCCCN1CCc2sccc2C1
InChIInChI=1S/C19H22N2OS/c22-19-16(15-5-1-2-7-17(15)20-19)6-3-4-10-21-11-8-18-14(13-21)9-12-23-18/h1-2,5,7,9,12,16H,3-4,6,8,10-11,13H2,(H,20,22)
InChIKeyHUTCHNKQEWUFQF-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-6-fluoro-1,3-dihydroindol-2-one
CID 11523737
5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 52551128
5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130634537
3-[4-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
CID 139811513
(3S)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 164632274
3-hexyl-1,3-dihydroindol-2-one
CID 106986515
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylpentan-1-amine
CID 62437630
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 134813181
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)hexan-2-amine
CID 82853174
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpropan-1-amine
CID 61386149
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
CID 62023515
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one (CID 11709635) is 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1CCCCN1CCc2sccc2C1.
What is the InChIKey of 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one?
The InChIKey is HUTCHNKQEWUFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-19-16(15-5-1-2-7-17(15)20-19)6-3-4-10-21-11-8-18-14(13-21)9-12-23-18/h1-2,5,7,9,12,16H,3-4,6,8,10-11,13H2,(H,20,22).
What are the key properties of 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one?
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one has a molecular weight of 326.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 11709635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).