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

C15H22N2OS — CID 63143785

IUPAC(3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCC1(C(=O)N2CCc3sccc3C2C)CCNC1
InChIInChI=1S/C15H22N2OS/c1-3-15(6-7-16-10-15)14(18)17-8-4-13-12(11(17)2)5-9-19-13/h5,9,11,16H,3-4,6-8,10H2,1-2H3
InChIKeyMQTSRNAWQISMSJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.58
Rot. Bonds2

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

(3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 63143785) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID63143785
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCC1(C(=O)N2CCc3sccc3C2C)CCNC1
InChIInChI=1S/C15H22N2OS/c1-3-15(6-7-16-10-15)14(18)17-8-4-13-12(11(17)2)5-9-19-13/h5,9,11,16H,3-4,6-8,10H2,1-2H3
InChIKeyMQTSRNAWQISMSJ-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 63143886
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methylpiperidin-4-yl)methanone
CID 63122514
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980104
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121981
1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide
CID 80589490
1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-4-ylpropan-1-one
CID 62211685
(3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone
CID 63138588
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylic acid
CID 60722425
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130768
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83072040
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806

Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 63143785) is (3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is CCC1(C(=O)N2CCc3sccc3C2C)CCNC1.
What is the InChIKey of (3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is MQTSRNAWQISMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-15(6-7-16-10-15)14(18)17-8-4-13-12(11(17)2)5-9-19-13/h5,9,11,16H,3-4,6-8,10H2,1-2H3.
What are the key properties of (3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 278.42 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 63143785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).