[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone

C9H11ClN2OS — CID 81468886

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C9H11ClN2OS/c10-8-2-1-7(14-8)9(13)12-4-3-6(11)5-12/h1-2,6H,3-5,11H2/t6-/m1/s1
InChIKeyOTXYPJBZIMXLNP-ZCFIWIBFSA-N
MW230.72 g/mol
LogP1.57
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone (PubChem CID 81468886) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
PubChem CID81468886
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C9H11ClN2OS/c10-8-2-1-7(14-8)9(13)12-4-3-6(11)5-12/h1-2,6H,3-5,11H2/t6-/m1/s1
InChIKeyOTXYPJBZIMXLNP-ZCFIWIBFSA-N
XLogP1.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 79879754
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
(5-chlorothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542062
[(3R)-3-aminopyrrolidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 81468887
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 114267652
(5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805511
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
(5-chlorothiophen-2-yl)-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97211126
[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 103805040
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone (CID 81468886) is [(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone is N[C@@H]1CCN(C(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The InChIKey is OTXYPJBZIMXLNP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c10-8-2-1-7(14-8)9(13)12-4-3-6(11)5-12/h1-2,6H,3-5,11H2/t6-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone has a molecular weight of 230.72 g/mol, XLogP of 1.57, 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]-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 81468886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).