1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine

C12H19NS — CID 102544356

IUPAC1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
SMILESCC(C)CN1CCCC1c1cccs1
InChIInChI=1S/C12H19NS/c1-10(2)9-13-7-3-5-11(13)12-6-4-8-14-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3
InChIKeyQLPDHJMLMSWSLX-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.54
Rot. Bonds3

About 1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine

1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine (PubChem CID 102544356) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
PubChem CID102544356
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
SMILESCC(C)CN1CCCC1c1cccs1
InChIInChI=1S/C12H19NS/c1-10(2)9-13-7-3-5-11(13)12-6-4-8-14-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3
InChIKeyQLPDHJMLMSWSLX-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18170819
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
(2S)-1-(2-propan-2-ylphenoxy)-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-2-ol
CID 7042818
(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 94383964
1-butyl-2-thiophen-2-ylpiperidine
CID 102544362
1-[(3,3-difluorocyclohexyl)methyl]-2-thiophen-2-ylpyrrolidine
CID 119038107
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
CID 92878241
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 124776383
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylazepane
CID 46366576
methyl 4-[(2S)-2-hydroxy-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propoxy]benzoate
CID 124789121
1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18093199

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine (CID 102544356) is 1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine is CC(C)CN1CCCC1c1cccs1.
What is the InChIKey of 1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine?
The InChIKey is QLPDHJMLMSWSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-10(2)9-13-7-3-5-11(13)12-6-4-8-14-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine?
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine has a molecular weight of 209.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 102544356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).