5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C15H16ClNS — CID 59078186

IUPAC5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC[C@H](c1ccccc1Cl)N1CCc2sccc2C1
InChIInChI=1S/C15H16ClNS/c1-11(13-4-2-3-5-14(13)16)17-8-6-15-12(10-17)7-9-18-15/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m1/s1
InChIKeyLRTCZMUUAXFPKV-LLVKDONJSA-N
MW277.82 g/mol
LogP4.52
Rot. Bonds2

About 5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 59078186) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is 5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID59078186
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC[C@H](c1ccccc1Cl)N1CCc2sccc2C1
InChIInChI=1S/C15H16ClNS/c1-11(13-4-2-3-5-14(13)16)17-8-6-15-12(10-17)7-9-18-15/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m1/s1
InChIKeyLRTCZMUUAXFPKV-LLVKDONJSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-one
CID 59985948
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride
CID 23106048
5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 88573353
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrate;hydrochloride
CID 70104720
[(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl] (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 87956878
4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol
CID 56971148
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-pyrrolidin-1-ylethanone
CID 13274794
methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;propan-2-one
CID 69368303
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;methyl acetate
CID 68877762
ethyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 71124360
(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;perchloric acid
CID 87203169
deuteriomethyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 141350312

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 59078186) is 5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is C[C@H](c1ccccc1Cl)N1CCc2sccc2C1.
What is the InChIKey of 5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is LRTCZMUUAXFPKV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClNS/c1-11(13-4-2-3-5-14(13)16)17-8-6-15-12(10-17)7-9-18-15/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m1/s1.
What are the key properties of 5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 277.82 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 59078186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).