2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine

C13H21NS — CID 66467169

IUPAC2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine
SMILESCCCC1(CCc2cccs2)CCCN1
InChIInChI=1S/C13H21NS/c1-2-7-13(8-4-10-14-13)9-6-12-5-3-11-15-12/h3,5,11,14H,2,4,6-10H2,1H3
InChIKeyBRQSBFQWIKIANZ-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.60
Rot. Bonds5

About 2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine

2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine (PubChem CID 66467169) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine.

Molecular Properties

Compound Name2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine
PubChem CID66467169
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine
SMILESCCCC1(CCc2cccs2)CCCN1
InChIInChI=1S/C13H21NS/c1-2-7-13(8-4-10-14-13)9-6-12-5-3-11-15-12/h3,5,11,14H,2,4,6-10H2,1H3
InChIKeyBRQSBFQWIKIANZ-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467603
2-ethyl-2-(2-thiophen-2-ylethyl)piperidine
CID 117271805
2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine
CID 66468514
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 83073731
2,2-dipropylpyrrolidine
CID 13332418
2-(3-phenylpropyl)-2-propylpyrrolidine
CID 66467164
(2R)-2-benzyl-2-propylpyrrolidine
CID 124511321
3-propyl-3-(2-thiophen-2-ylethyl)azetidine
CID 79452456
2-propan-2-yl-2-(2-thiophen-2-ylethyl)azepane
CID 79119111
N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106974977
2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine
CID 66468528
2-(1-benzothiophen-3-ylmethyl)-2-propylpyrrolidine
CID 66465792

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine?
The IUPAC name of 2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine (CID 66467169) is 2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine.
What is the SMILES notation for 2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine?
The canonical SMILES for 2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine is CCCC1(CCc2cccs2)CCCN1.
What is the InChIKey of 2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine?
The InChIKey is BRQSBFQWIKIANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-2-7-13(8-4-10-14-13)9-6-12-5-3-11-15-12/h3,5,11,14H,2,4,6-10H2,1H3.
What are the key properties of 2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine?
2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine has a molecular weight of 223.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine is sourced from PubChem (CID 66467169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).