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

C14H22N2OS — CID 81087579

IUPAC3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CCc2sccc2C1C
InChIInChI=1S/C14H22N2OS/c1-3-11(9-15)8-14(17)16-6-4-13-12(10(16)2)5-7-18-13/h5,7,10-11H,3-4,6,8-9,15H2,1-2H3
InChIKeySXDQTVPSVWVDHC-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.57
Rot. Bonds4

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

3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one (PubChem CID 81087579) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
PubChem CID81087579
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CCc2sccc2C1C
InChIInChI=1S/C14H22N2OS/c1-3-11(9-15)8-14(17)16-6-4-13-12(10(16)2)5-7-18-13/h5,7,10-11H,3-4,6,8-9,15H2,1-2H3
InChIKeySXDQTVPSVWVDHC-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 116655108
N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide
CID 8949047
5-chloro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one
CID 54916161
2,2-difluoro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 103604023
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
CID 62901240
5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65228403
3-(2-aminophenyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 120608334
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-1-one
CID 55104231
2,2,2-trifluoroethyl 4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 65173549
2,2-dimethyl-N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]propanamide
CID 71943214
3-(furan-2-yl)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 94463277
1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one
CID 62211685

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one (CID 81087579) is 3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one is CCC(CN)CC(=O)N1CCc2sccc2C1C.
What is the InChIKey of 3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one?
The InChIKey is SXDQTVPSVWVDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-11(9-15)8-14(17)16-6-4-13-12(10(16)2)5-7-18-13/h5,7,10-11H,3-4,6,8-9,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one?
3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one has a molecular weight of 266.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-one is sourced from PubChem (CID 81087579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).