(4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C13H19NOS — CID 95811319

IUPAC(4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOCCN1CCc2sccc2[C@@H]1C1CC1
InChIInChI=1S/C13H19NOS/c1-15-8-7-14-6-4-12-11(5-9-16-12)13(14)10-2-3-10/h5,9-10,13H,2-4,6-8H2,1H3/t13-/m0/s1
InChIKeyJDWAELZTSBCRGH-ZDUSSCGKSA-N
MW237.37 g/mol
LogP2.70
Rot. Bonds4

About (4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

(4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 95811319) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name(4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID95811319
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOCCN1CCc2sccc2[C@@H]1C1CC1
InChIInChI=1S/C13H19NOS/c1-15-8-7-14-6-4-12-11(5-9-16-12)13(14)10-2-3-10/h5,9-10,13H,2-4,6-8H2,1H3/t13-/m0/s1
InChIKeyJDWAELZTSBCRGH-ZDUSSCGKSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione
CID 9001867
2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione
CID 9322950
methyl 3-[[2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]-4-methylbenzoate
CID 9002431
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9002905
(4S)-4-cyclopropyl-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 9322779
1-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,3-dione
CID 54876687
N-[2-(4-chlorophenoxy)ethyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002929
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 9002046
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide
CID 9001964
2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione
CID 9322749
5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 46967179
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide
CID 9002193

Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of (4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 95811319) is (4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for (4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for (4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is COCCN1CCc2sccc2[C@@H]1C1CC1.
What is the InChIKey of (4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is JDWAELZTSBCRGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NOS/c1-15-8-7-14-6-4-12-11(5-9-16-12)13(14)10-2-3-10/h5,9-10,13H,2-4,6-8H2,1H3/t13-/m0/s1.
What are the key properties of (4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
(4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 237.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 95811319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).