3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde

C15H21NO2S — CID 55243395

IUPAC3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde
SMILESCC1c2ccsc2CCN1CC1(C=O)CCCOC1
InChIInChI=1S/C15H21NO2S/c1-12-13-4-8-19-14(13)3-6-16(12)9-15(10-17)5-2-7-18-11-15/h4,8,10,12H,2-3,5-7,9,11H2,1H3
InChIKeyKQWZKGCIJDNLGF-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.66
Rot. Bonds3

About 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde

3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde (PubChem CID 55243395) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde
PubChem CID55243395
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde
SMILESCC1c2ccsc2CCN1CC1(C=O)CCCOC1
InChIInChI=1S/C15H21NO2S/c1-12-13-4-8-19-14(13)3-6-16(12)9-15(10-17)5-2-7-18-11-15/h4,8,10,12H,2-3,5-7,9,11H2,1H3
InChIKeyKQWZKGCIJDNLGF-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde with MolForge

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Related Compounds

1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
CID 55008611
N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62257956
3-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]oxane-3-carbaldehyde
CID 102789425
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
CID 60699782
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanehydrazide
CID 63585229
N-(1-cyanocyclohexyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 51227395
1-ethyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4,5-trione
CID 9321548
3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
CID 64735839
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
CID 102555946
N-(4-iodophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999831
5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 83085545
2-[4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]acetic acid
CID 105345909

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde?
The IUPAC name of 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde (CID 55243395) is 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde.
What is the SMILES notation for 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde?
The canonical SMILES for 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde is CC1c2ccsc2CCN1CC1(C=O)CCCOC1.
What is the InChIKey of 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde?
The InChIKey is KQWZKGCIJDNLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-12-13-4-8-19-14(13)3-6-16(12)9-15(10-17)5-2-7-18-11-15/h4,8,10,12H,2-3,5-7,9,11H2,1H3.
What are the key properties of 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde?
3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde has a molecular weight of 279.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxane-3-carbaldehyde is sourced from PubChem (CID 55243395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).