1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride

C11H16Cl2N2OS — CID 119410208

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
SMILESCC(C(=O)N1CC[C@@H](N)C1)c1ccc(Cl)s1.Cl
InChIInChI=1S/C11H15ClN2OS.ClH/c1-7(9-2-3-10(12)16-9)11(15)14-5-4-8(13)6-14;/h2-3,7-8H,4-6,13H2,1H3;1H/t7?,8-;/m1./s1
InChIKeyMZRHQVGOKHJIED-LTTWWRRRSA-N
MW295.23 g/mol
LogP2.49
Rot. Bonds2

About 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride (PubChem CID 119410208) has the molecular formula C11H16Cl2N2OS and a molecular weight of 295.23 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
PubChem CID119410208
Molecular FormulaC11H16Cl2N2OS
Molecular Weight295.23 g/mol
Exact Mass294.04
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
SMILESCC(C(=O)N1CC[C@@H](N)C1)c1ccc(Cl)s1.Cl
InChIInChI=1S/C11H15ClN2OS.ClH/c1-7(9-2-3-10(12)16-9)11(15)14-5-4-8(13)6-14;/h2-3,7-8H,4-6,13H2,1H3;1H/t7?,8-;/m1./s1
InChIKeyMZRHQVGOKHJIED-LTTWWRRRSA-N
XLogP2.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 120817281
(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124610754
N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480023
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one
CID 119662290
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 119410172
2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 120527715
(2S)-2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327130
1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine
CID 61297752
(2R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3,4-difluorophenyl)propan-1-one
CID 125146963
2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 129335184
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3-chlorophenoxy)propan-1-one;hydrochloride
CID 119934342

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride (CID 119410208) is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride is CC(C(=O)N1CC[C@@H](N)C1)c1ccc(Cl)s1.Cl.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride?
The InChIKey is MZRHQVGOKHJIED-LTTWWRRRSA-N. The full InChI is InChI=1S/C11H15ClN2OS.ClH/c1-7(9-2-3-10(12)16-9)11(15)14-5-4-8(13)6-14;/h2-3,7-8H,4-6,13H2,1H3;1H/t7?,8-;/m1./s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride?
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride has a molecular weight of 295.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119410208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).