(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine

C12H19NOS — CID 94383964

IUPAC(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
SMILESCOCCCN1CCC[C@@H]1c1cccs1
InChIInChI=1S/C12H19NOS/c1-14-9-4-8-13-7-2-5-11(13)12-6-3-10-15-12/h3,6,10-11H,2,4-5,7-9H2,1H3/t11-/m1/s1
InChIKeyJOLRCWGZWUSXPX-LLVKDONJSA-N
MW225.36 g/mol
LogP2.92
Rot. Bonds5

About (2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine

(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine (PubChem CID 94383964) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
PubChem CID94383964
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
SMILESCOCCCN1CCC[C@@H]1c1cccs1
InChIInChI=1S/C12H19NOS/c1-14-9-4-8-13-7-2-5-11(13)12-6-3-10-15-12/h3,6,10-11H,2,4-5,7-9H2,1H3/t11-/m1/s1
InChIKeyJOLRCWGZWUSXPX-LLVKDONJSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 166193735
1-butyl-2-thiophen-2-ylpiperidine
CID 102544362
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine
CID 134035739
(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503190
5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 35429886
N-cyclopropyl-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 34187335
(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
CID 95727213
1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18093199
(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
CID 92878241

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine?
The IUPAC name of (2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine (CID 94383964) is (2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for (2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for (2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine is COCCCN1CCC[C@@H]1c1cccs1.
What is the InChIKey of (2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine?
The InChIKey is JOLRCWGZWUSXPX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NOS/c1-14-9-4-8-13-7-2-5-11(13)12-6-3-10-15-12/h3,6,10-11H,2,4-5,7-9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine?
(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine has a molecular weight of 225.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 94383964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).