[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride

C14H17ClN2OS — CID 163334626

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride
SMILESCc1sc2ccccc2c1C(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C14H16N2OS.ClH/c1-9-13(11-4-2-3-5-12(11)18-9)14(17)16-7-6-10(15)8-16;/h2-5,10H,6-8,15H2,1H3;1H/t10-;/m1./s1
InChIKeyFDRGOLGIZKJUIV-HNCPQSOCSA-N
MW296.82 g/mol
LogP2.80
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride (PubChem CID 163334626) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride
PubChem CID163334626
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride
SMILESCc1sc2ccccc2c1C(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C14H16N2OS.ClH/c1-9-13(11-4-2-3-5-12(11)18-9)14(17)16-7-6-10(15)8-16;/h2-5,10H,6-8,15H2,1H3;1H/t10-;/m1./s1
InChIKeyFDRGOLGIZKJUIV-HNCPQSOCSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 119409997
2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 155505565
[(3R)-3-aminopyrrolidin-1-yl]-(2,6-difluorophenyl)methanone;hydrochloride
CID 119409169
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone
CID 154816969
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-2-methylphenyl)methanone;hydrochloride
CID 119934451
(3-hydroxypyrrolidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone
CID 62916236
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
(3-aminopyrrolidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82815863
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride (CID 163334626) is [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride is Cc1sc2ccccc2c1C(=O)N1CC[C@@H](N)C1.Cl.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride?
The InChIKey is FDRGOLGIZKJUIV-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H16N2OS.ClH/c1-9-13(11-4-2-3-5-12(11)18-9)14(17)16-7-6-10(15)8-16;/h2-5,10H,6-8,15H2,1H3;1H/t10-;/m1./s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride has a molecular weight of 296.82 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride is sourced from PubChem (CID 163334626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).