1-butyl-2-thiophen-2-ylpyrrolidine

C12H19NS — CID 102544357

IUPAC1-butyl-2-thiophen-2-ylpyrrolidine
SMILESCCCCN1CCCC1c1cccs1
InChIInChI=1S/C12H19NS/c1-2-3-8-13-9-4-6-11(13)12-7-5-10-14-12/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyREFFIMXEEJORBS-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.69
Rot. Bonds4

About 1-butyl-2-thiophen-2-ylpyrrolidine

1-butyl-2-thiophen-2-ylpyrrolidine (PubChem CID 102544357) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-butyl-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-butyl-2-thiophen-2-ylpyrrolidine
PubChem CID102544357
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-butyl-2-thiophen-2-ylpyrrolidine
SMILESCCCCN1CCCC1c1cccs1
InChIInChI=1S/C12H19NS/c1-2-3-8-13-9-4-6-11(13)12-7-5-10-14-12/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyREFFIMXEEJORBS-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2-thiophen-2-ylpiperidine
CID 102544362
(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 94383964
1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 166193735
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18093199
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylazepane
CID 46366576
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
1-butyl-2-phenylpiperidine
CID 10036306
(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
CID 92878241
N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 47104744

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-butyl-2-thiophen-2-ylpyrrolidine (CID 102544357) is 1-butyl-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-butyl-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-butyl-2-thiophen-2-ylpyrrolidine is CCCCN1CCCC1c1cccs1.
What is the InChIKey of 1-butyl-2-thiophen-2-ylpyrrolidine?
The InChIKey is REFFIMXEEJORBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-2-3-8-13-9-4-6-11(13)12-7-5-10-14-12/h5,7,10-11H,2-4,6,8-9H2,1H3.
What are the key properties of 1-butyl-2-thiophen-2-ylpyrrolidine?
1-butyl-2-thiophen-2-ylpyrrolidine has a molecular weight of 209.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 102544357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).