1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde

C14H19NOS — CID 62277127

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde
SMILESO=CC1(CN2CCc3sccc3C2)CCCC1
InChIInChI=1S/C14H19NOS/c16-11-14(5-1-2-6-14)10-15-7-3-13-12(9-15)4-8-17-13/h4,8,11H,1-3,5-7,9-10H2
InChIKeyCHURQFHONMANSM-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.87
Rot. Bonds3

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde (PubChem CID 62277127) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde
PubChem CID62277127
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde
SMILESO=CC1(CN2CCc3sccc3C2)CCCC1
InChIInChI=1S/C14H19NOS/c16-11-14(5-1-2-6-14)10-15-7-3-13-12(9-15)4-8-17-13/h4,8,11H,1-3,5-7,9-10H2
InChIKeyCHURQFHONMANSM-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 62262459
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxane-3-carboxylic acid
CID 55241474
[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]methanamine
CID 104678673
N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 62390935
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
(3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one
CID 42213735
(E)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)but-2-enoic acid
CID 62344122
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxan-3-yl]-N-methylmethanamine
CID 63741877
5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130634537
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62439650
2-(1-aminocyclobutyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 79851562
5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130636672

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde (CID 62277127) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde is O=CC1(CN2CCc3sccc3C2)CCCC1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde?
The InChIKey is CHURQFHONMANSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c16-11-14(5-1-2-6-14)10-15-7-3-13-12(9-15)4-8-17-13/h4,8,11H,1-3,5-7,9-10H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde has a molecular weight of 249.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62277127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).