(4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C14H20N2O2S — CID 61214210

IUPAC(4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCOC1CNC(C(=O)N2CCCC2c2ccsc2)C1
InChIInChI=1S/C14H20N2O2S/c1-18-11-7-12(15-8-11)14(17)16-5-2-3-13(16)10-4-6-19-9-10/h4,6,9,11-13,15H,2-3,5,7-8H2,1H3
InChIKeyYKZDDBPFUKTNQR-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.79
Rot. Bonds3

About (4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

(4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 61214210) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID61214210
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCOC1CNC(C(=O)N2CCCC2c2ccsc2)C1
InChIInChI=1S/C14H20N2O2S/c1-18-11-7-12(15-8-11)14(17)16-5-2-3-13(16)10-4-6-19-9-10/h4,6,9,11-13,15H,2-3,5,7-8H2,1H3
InChIKeyYKZDDBPFUKTNQR-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 54871703
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
CID 94171138
N-(3-methoxycyclobutyl)-N'-methyl-2-thiophen-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 136589461
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
CID 54871574

Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 61214210) is (4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is COC1CNC(C(=O)N2CCCC2c2ccsc2)C1.
What is the InChIKey of (4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is YKZDDBPFUKTNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-18-11-7-12(15-8-11)14(17)16-5-2-3-13(16)10-4-6-19-9-10/h4,6,9,11-13,15H,2-3,5,7-8H2,1H3.
What are the key properties of (4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
(4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 280.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrrolidin-2-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61214210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).