1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride

C14H23ClN2S — CID 120897555

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride
SMILESCC1(CN2CCCC2c2cccs2)CCNC1.Cl
InChIInChI=1S/C14H22N2S.ClH/c1-14(6-7-15-10-14)11-16-8-2-4-12(16)13-5-3-9-17-13;/h3,5,9,12,15H,2,4,6-8,10-11H2,1H3;1H
InChIKeyYVAUZTJOLPQSIZ-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.31
Rot. Bonds3

About 1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride

1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride (PubChem CID 120897555) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride
PubChem CID120897555
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride
SMILESCC1(CN2CCCC2c2cccs2)CCNC1.Cl
InChIInChI=1S/C14H22N2S.ClH/c1-14(6-7-15-10-14)11-16-8-2-4-12(16)13-5-3-9-17-13;/h3,5,9,12,15H,2,4,6-8,10-11H2,1H3;1H
InChIKeyYVAUZTJOLPQSIZ-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)pyrrolidine
CID 120900015
5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 120897760
2-[1-[(3-methylpyrrolidin-3-yl)methyl]azepan-2-yl]-1-thiophen-2-ylethanol;hydrochloride
CID 120901659
2-cyclopentyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899104
(3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 63131223
2-(1,3-benzodioxol-5-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 120899896
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
2-[(3-methylpyrrolidin-3-yl)amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 107424258
2-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899808
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 35429886
8-tert-butyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18170818

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride (CID 120897555) is 1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride is CC1(CN2CCCC2c2cccs2)CCNC1.Cl.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride?
The InChIKey is YVAUZTJOLPQSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S.ClH/c1-14(6-7-15-10-14)11-16-8-2-4-12(16)13-5-3-9-17-13;/h3,5,9,12,15H,2,4,6-8,10-11H2,1H3;1H.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride?
1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride has a molecular weight of 286.87 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine;hydrochloride is sourced from PubChem (CID 120897555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).