[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone

C16H24N2O2S — CID 129430320

IUPAC[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
SMILESCCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1sccc1OC
InChIInChI=1S/C16H24N2O2S/c1-3-17-9-4-6-12(17)13-7-5-10-18(13)16(19)15-14(20-2)8-11-21-15/h8,11-13H,3-7,9-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyJEMLRNRUGMGFQF-CHWSQXEVSA-N
MW308.45 g/mol
LogP2.85
Rot. Bonds4

About [(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone

[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone (PubChem CID 129430320) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is [(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
PubChem CID129430320
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
SMILESCCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1sccc1OC
InChIInChI=1S/C16H24N2O2S/c1-3-17-9-4-6-12(17)13-7-5-10-18(13)16(19)15-14(20-2)8-11-21-15/h8,11-13H,3-7,9-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyJEMLRNRUGMGFQF-CHWSQXEVSA-N
XLogP2.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone with MolForge

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Related Compounds

1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81117693
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119631702
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile
CID 81122408
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 124596288
[2-(3-bromopropyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129669
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119597034
(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 81126515
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122591
[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 91660020
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129430279
[3-(2-bromoethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129209
[4-(chloromethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129658

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of [(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone (CID 129430320) is [(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for [(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for [(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone is CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1sccc1OC.
What is the InChIKey of [(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
The InChIKey is JEMLRNRUGMGFQF-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-17-9-4-6-12(17)13-7-5-10-18(13)16(19)15-14(20-2)8-11-21-15/h8,11-13H,3-7,9-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone has a molecular weight of 308.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 129430320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).