1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one

C11H15ClN2OS — CID 119411874

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one
SMILESN[C@@H]1CCN(C(=O)CCc2cc(Cl)cs2)C1
InChIInChI=1S/C11H15ClN2OS/c12-8-5-10(16-7-8)1-2-11(15)14-4-3-9(13)6-14/h5,7,9H,1-4,6,13H2/t9-/m1/s1
InChIKeyWLVRGJFFSYLWJU-SECBINFHSA-N
MW258.77 g/mol
LogP1.89
Rot. Bonds3

About 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one

1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one (PubChem CID 119411874) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one
PubChem CID119411874
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one
SMILESN[C@@H]1CCN(C(=O)CCc2cc(Cl)cs2)C1
InChIInChI=1S/C11H15ClN2OS/c12-8-5-10(16-7-8)1-2-11(15)14-4-3-9(13)6-14/h5,7,9H,1-4,6,13H2/t9-/m1/s1
InChIKeyWLVRGJFFSYLWJU-SECBINFHSA-N
XLogP1.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one
CID 119413521
3-(4-chlorothiophen-2-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120995039
3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119397351
3-(4-chlorothiophen-2-yl)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124589955
1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119410848
2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 124702416
1-(3-aminopyrrolidin-1-yl)-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119482531
1-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119934516
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3,5-dichlorophenyl)ethanone;hydrochloride
CID 176516407
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one
CID 119409653
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
1-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 119934303

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one (CID 119411874) is 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one is N[C@@H]1CCN(C(=O)CCc2cc(Cl)cs2)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one?
The InChIKey is WLVRGJFFSYLWJU-SECBINFHSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c12-8-5-10(16-7-8)1-2-11(15)14-4-3-9(13)6-14/h5,7,9H,1-4,6,13H2/t9-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one?
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one has a molecular weight of 258.77 g/mol, XLogP of 1.89, 3 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]-3-(4-chlorothiophen-2-yl)propan-1-one is sourced from PubChem (CID 119411874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).