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

C9H10Cl2N2OS — CID 103805040

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C9H10Cl2N2OS/c10-7-3-6(8(11)15-7)9(14)13-2-1-5(12)4-13/h3,5H,1-2,4,12H2/t5-/m1/s1
InChIKeyNDNDWNUFLQQBLM-RXMQYKEDSA-N
MW265.16 g/mol
LogP2.23
Rot. Bonds1

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

[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 103805040) has the molecular formula C9H10Cl2N2OS and a molecular weight of 265.16 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID103805040
Molecular FormulaC9H10Cl2N2OS
Molecular Weight265.16 g/mol
Exact Mass263.99
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C9H10Cl2N2OS/c10-7-3-6(8(11)15-7)9(14)13-2-1-5(12)4-13/h3,5H,1-2,4,12H2/t5-/m1/s1
InChIKeyNDNDWNUFLQQBLM-RXMQYKEDSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
CID 119482772
(4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103807093
(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103821494
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
(2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 103806964
[4-(1-chloroethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966408
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
[4-(1-bromoethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966411
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
(3-aminopyrrolidin-1-yl)-(2-bromo-5-methylthiophen-3-yl)methanone
CID 119482982
(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone
CID 103629624
4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide
CID 95979713

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone (CID 103805040) is [(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone is N[C@@H]1CCN(C(=O)c2cc(Cl)sc2Cl)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is NDNDWNUFLQQBLM-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10Cl2N2OS/c10-7-3-6(8(11)15-7)9(14)13-2-1-5(12)4-13/h3,5H,1-2,4,12H2/t5-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 265.16 g/mol, XLogP of 2.23, 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]-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 103805040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).