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

C17H26N2OS — CID 106980104

IUPAC(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCCC1c2ccsc2CCN1C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C17H26N2OS/c1-4-14-13-6-10-21-15(13)5-9-19(14)16(20)17(12(2)3)7-8-18-11-17/h6,10,12,14,18H,4-5,7-9,11H2,1-3H3
InChIKeyUVXRWAKZQPDKEV-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.22
Rot. Bonds3

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

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106980104) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106980104
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCCC1c2ccsc2CCN1C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C17H26N2OS/c1-4-14-13-6-10-21-15(13)5-9-19(14)16(20)17(12(2)3)7-8-18-11-17/h6,10,12,14,18H,4-5,7-9,11H2,1-3H3
InChIKeyUVXRWAKZQPDKEV-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.22
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)-(3-ethylpyrrolidin-3-yl)methanone
CID 63143886
(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)-(2-ethylpyrrolidin-2-yl)methanone
CID 83072040
(3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 63143785
(2S)-1-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methylbutan-1-one
CID 94822699
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294015
(2S)-2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 61146658
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-1-one
CID 55104231
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102611383
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,3-trimethylbutan-1-one
CID 65269950
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone
CID 81130003
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106980104) is (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is CCC1c2ccsc2CCN1C(=O)C1(C(C)C)CCNC1.
What is the InChIKey of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is UVXRWAKZQPDKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-14-13-6-10-21-15(13)5-9-19(14)16(20)17(12(2)3)7-8-18-11-17/h6,10,12,14,18H,4-5,7-9,11H2,1-3H3.
What are the key properties of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 306.47 g/mol, XLogP of 3.22, 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)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106980104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).