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

C13H19ClN2OS — CID 119700089

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
SMILESCC1(C(=O)N2CCc3sccc3C2)CCNC1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-13(4-5-14-9-13)12(16)15-6-2-11-10(8-15)3-7-17-11;/h3,7,14H,2,4-6,8-9H2,1H3;1H
InChIKeyVXPLNAHJNYMQLV-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.05
Rot. Bonds1

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

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride (PubChem CID 119700089) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
PubChem CID119700089
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
SMILESCC1(C(=O)N2CCc3sccc3C2)CCNC1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-13(4-5-14-9-13)12(16)15-6-2-11-10(8-15)3-7-17-11;/h3,7,14H,2,4-6,8-9H2,1H3;1H
InChIKeyVXPLNAHJNYMQLV-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride with MolForge

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide
CID 55037722
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114409449
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-piperazin-1-ylethanone
CID 16770326
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114459997
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121981
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methylpiperidin-4-yl)methanone
CID 63122514
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119700097

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride (CID 119700089) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride is CC1(C(=O)N2CCc3sccc3C2)CCNC1.Cl.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride?
The InChIKey is VXPLNAHJNYMQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS.ClH/c1-13(4-5-14-9-13)12(16)15-6-2-11-10(8-15)3-7-17-11;/h3,7,14H,2,4-6,8-9H2,1H3;1H.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride has a molecular weight of 286.83 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119700089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).