2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine

C13H21NS — CID 62355189

IUPAC2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine
SMILESCCc1ccc(C2(C)CCNC2CC)s1
InChIInChI=1S/C13H21NS/c1-4-10-6-7-12(15-10)13(3)8-9-14-11(13)5-2/h6-7,11,14H,4-5,8-9H2,1-3H3
InChIKeyZSHRXNRJEMQDTA-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.34
Rot. Bonds3

About 2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine

2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine (PubChem CID 62355189) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine
PubChem CID62355189
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine
SMILESCCc1ccc(C2(C)CCNC2CC)s1
InChIInChI=1S/C13H21NS/c1-4-10-6-7-12(15-10)13(3)8-9-14-11(13)5-2/h6-7,11,14H,4-5,8-9H2,1-3H3
InChIKeyZSHRXNRJEMQDTA-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-(4-ethylphenyl)-3-methylpyrrolidine
CID 62352613
2-[2-(chloromethyl)-1-methylcyclopropyl]-5-ethylthiophene
CID 81357305
2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine
CID 55191908
2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 55063141
2-ethyl-1-(5-ethylthiophen-2-yl)cyclopropan-1-ol
CID 79333858
2-ethyl-3,3-dimethylpyrrolidine
CID 62352617
2,5-diethylthiophene
CID 521294
3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine
CID 62753373
2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567731
5-[(5-ethylthiophen-2-yl)methyl]-5-methylpyrrolidin-2-one
CID 104687215
N-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine
CID 114229515
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64840265

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine?
The IUPAC name of 2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine (CID 62355189) is 2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine.
What is the SMILES notation for 2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine?
The canonical SMILES for 2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine is CCc1ccc(C2(C)CCNC2CC)s1.
What is the InChIKey of 2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine?
The InChIKey is ZSHRXNRJEMQDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-10-6-7-12(15-10)13(3)8-9-14-11(13)5-2/h6-7,11,14H,4-5,8-9H2,1-3H3.
What are the key properties of 2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine?
2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine has a molecular weight of 223.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine is sourced from PubChem (CID 62355189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).