[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone

C12H15ClN2OS — CID 72925738

IUPAC[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone
SMILESN[C@H]1CN(C(=O)c2sccc2Cl)C[C@@H]1C1CC1
InChIInChI=1S/C12H15ClN2OS/c13-9-3-4-17-11(9)12(16)15-5-8(7-1-2-7)10(14)6-15/h3-4,7-8,10H,1-2,5-6,14H2/t8-,10+/m1/s1
InChIKeyOQXFBNYJGUWHTM-SCZZXKLOSA-N
MW270.78 g/mol
LogP2.21
Rot. Bonds2

About [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone

[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone (PubChem CID 72925738) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone
PubChem CID72925738
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone
SMILESN[C@H]1CN(C(=O)c2sccc2Cl)C[C@@H]1C1CC1
InChIInChI=1S/C12H15ClN2OS/c13-9-3-4-17-11(9)12(16)15-5-8(7-1-2-7)10(14)6-15/h3-4,7-8,10H,1-2,5-6,14H2/t8-,10+/m1/s1
InChIKeyOQXFBNYJGUWHTM-SCZZXKLOSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone (CID 72925738) is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone is N[C@H]1CN(C(=O)c2sccc2Cl)C[C@@H]1C1CC1.
What is the InChIKey of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone?
The InChIKey is OQXFBNYJGUWHTM-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c13-9-3-4-17-11(9)12(16)15-5-8(7-1-2-7)10(14)6-15/h3-4,7-8,10H,1-2,5-6,14H2/t8-,10+/m1/s1.
What are the key properties of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone?
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone has a molecular weight of 270.78 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 72925738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).