(2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine

C11H17NOS — CID 97162429

IUPAC(2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine
SMILESC[C@H](OC[C@H]1CCCN1)c1cccs1
InChIInChI=1S/C11H17NOS/c1-9(11-5-3-7-14-11)13-8-10-4-2-6-12-10/h3,5,7,9-10,12H,2,4,6,8H2,1H3/t9-,10+/m0/s1
InChIKeySMOBIRHIHZKEEU-VHSXEESVSA-N
MW211.33 g/mol
LogP2.58
Rot. Bonds4

About (2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine

(2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine (PubChem CID 97162429) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine
PubChem CID97162429
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine
SMILESC[C@H](OC[C@H]1CCCN1)c1cccs1
InChIInChI=1S/C11H17NOS/c1-9(11-5-3-7-14-11)13-8-10-4-2-6-12-10/h3,5,7,9-10,12H,2,4,6,8H2,1H3/t9-,10+/m0/s1
InChIKeySMOBIRHIHZKEEU-VHSXEESVSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride
CID 71638047
2-(2-thiophen-2-ylpropyl)pyrrolidine
CID 112715427
N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 71637827
(2S)-2-(thiophen-2-ylmethoxymethyl)pyrrolidine
CID 102820124
2-[(1R)-1-[[(2S)-pyrrolidin-2-yl]methoxy]ethyl]pyridine
CID 97162432
2-pyrrolidin-2-yl-1-thiophen-2-ylethanamine
CID 116935934
(2R)-2-(2-thiophen-2-ylethoxymethyl)pyrrolidine
CID 102820127
2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole
CID 97162415
2-[(1S)-1-[[(2R)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole
CID 97162417
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
(2R)-2-[[(1R)-1-(furan-2-yl)ethoxy]methyl]piperidine
CID 97162402
2-[[4-[phenyl(thiophen-2-yl)methyl]phenoxy]methyl]pyrrolidine;hydrochloride
CID 174553264

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine?
The IUPAC name of (2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine (CID 97162429) is (2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine is C[C@H](OC[C@H]1CCCN1)c1cccs1.
What is the InChIKey of (2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine?
The InChIKey is SMOBIRHIHZKEEU-VHSXEESVSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(11-5-3-7-14-11)13-8-10-4-2-6-12-10/h3,5,7,9-10,12H,2,4,6,8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine?
(2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine has a molecular weight of 211.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-thiophen-2-ylethoxy]methyl]pyrrolidine is sourced from PubChem (CID 97162429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).