5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

C17H23ClN2S2 — CID 120897760

IUPAC5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCC1(CN2CCc3sccc3C2c2cccs2)CCNC1.Cl
InChIInChI=1S/C17H22N2S2.ClH/c1-17(6-7-18-11-17)12-19-8-4-14-13(5-10-21-14)16(19)15-3-2-9-20-15;/h2-3,5,9-10,16,18H,4,6-8,11-12H2,1H3;1H
InChIKeyMUIYIZKMMPHNNQ-UHFFFAOYSA-N
MW354.97 g/mol
LogP4.18
Rot. Bonds3

About 5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 120897760) has the molecular formula C17H23ClN2S2 and a molecular weight of 354.97 g/mol. Its IUPAC name is 5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
PubChem CID120897760
Molecular FormulaC17H23ClN2S2
Molecular Weight354.97 g/mol
Exact Mass354.10
IUPAC Name5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCC1(CN2CCc3sccc3C2c2cccs2)CCNC1.Cl
InChIInChI=1S/C17H22N2S2.ClH/c1-17(6-7-18-11-17)12-19-8-4-14-13(5-10-21-14)16(19)15-3-2-9-20-15;/h2-3,5,9-10,16,18H,4,6-8,11-12H2,1H3;1H
InChIKeyMUIYIZKMMPHNNQ-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.97
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride
CID 120897555
5-butyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 75853568
[3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxetan-3-yl]methanol
CID 111976545
5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 24513127
1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione
CID 9325118
5-thiophen-2-yl-2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1H-1,2,4-triazole-3-thione
CID 51568408
1-(azocan-1-yl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9129368
N-(methylcarbamoyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129159
N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55412408
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
4-[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9129074
(4S)-5-methylsulfonyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 95285356

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 120897760) is 5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is CC1(CN2CCc3sccc3C2c2cccs2)CCNC1.Cl.
What is the InChIKey of 5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The InChIKey is MUIYIZKMMPHNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S2.ClH/c1-17(6-7-18-11-17)12-19-8-4-14-13(5-10-21-14)16(19)15-3-2-9-20-15;/h2-3,5,9-10,16,18H,4,6-8,11-12H2,1H3;1H.
What are the key properties of 5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride has a molecular weight of 354.97 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 120897760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).