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

C16H24N2OS — CID 83072040

IUPAC(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1c2ccsc2CCN1C(=O)C1(CC)CCCN1
InChIInChI=1S/C16H24N2OS/c1-3-13-12-7-11-20-14(12)6-10-18(13)15(19)16(4-2)8-5-9-17-16/h7,11,13,17H,3-6,8-10H2,1-2H3
InChIKeyQSPPYWRRDOMBFE-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.12
Rot. Bonds3

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

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone (PubChem CID 83072040) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone
PubChem CID83072040
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1c2ccsc2CCN1C(=O)C1(CC)CCCN1
InChIInChI=1S/C16H24N2OS/c1-3-13-12-7-11-20-14(12)6-10-18(13)15(19)16(4-2)8-5-9-17-16/h7,11,13,17H,3-6,8-10H2,1-2H3
InChIKeyQSPPYWRRDOMBFE-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121981
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 63143886
(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)-[(3R)-piperidin-3-yl]methanone
CID 81130003
(4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94058436
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294015
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
(2S)-1-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methylbutan-1-one
CID 94822699
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
(2S)-2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 61146658
2-bicyclo[2.2.1]hept-5-enyl-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 75413277
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,3-trimethylbutan-1-one
CID 65269950

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone (CID 83072040) is (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone is CCC1c2ccsc2CCN1C(=O)C1(CC)CCCN1.
What is the InChIKey of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The InChIKey is QSPPYWRRDOMBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-13-12-7-11-20-14(12)6-10-18(13)15(19)16(4-2)8-5-9-17-16/h7,11,13,17H,3-6,8-10H2,1-2H3.
What are the key properties of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone?
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone has a molecular weight of 292.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 83072040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).