1-thiophen-2-ylpyrrolidine

C8H11NS — CID 11469178

IUPAC1-thiophen-2-ylpyrrolidine
SMILESc1csc(N2CCCC2)c1
InChIInChI=1S/C8H11NS/c1-2-6-9(5-1)8-4-3-7-10-8/h3-4,7H,1-2,5-6H2
InChIKeyKTQSFEDQGUDURK-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.35
Rot. Bonds1

About 1-thiophen-2-ylpyrrolidine

1-thiophen-2-ylpyrrolidine (PubChem CID 11469178) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 1-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-thiophen-2-ylpyrrolidine
PubChem CID11469178
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name1-thiophen-2-ylpyrrolidine
SMILESc1csc(N2CCCC2)c1
InChIInChI=1S/C8H11NS/c1-2-6-9(5-1)8-4-3-7-10-8/h3-4,7H,1-2,5-6H2
InChIKeyKTQSFEDQGUDURK-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethylethanamine;thiophen-2-ylcarbamodithioic acid
CID 118705654
1-(Thiophen-2-YL)pyrrolidin-2-one
CID 11367213
1-(Thiophen-2-yl)piperidine
CID 12181160
3-Pyrrolidinothiophene
CID 12181854
Thienylaminobutane
CID 12181159
N,N-Dimethylthiophen-2-amine
CID 15191003
N-Ethylthiophen-2-amine
CID 15610265
Dibutyl(2-thienyl)amine
CID 66594971
Dithienyl-butylamine
CID 66654943
Tetrahydropyridylthiophene
CID 70043162
Thienylaziridine
CID 87415757
N-thiophen-2-ylcarbamodithioate;triethylazanium
CID 71718844

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-thiophen-2-ylpyrrolidine (CID 11469178) is 1-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-thiophen-2-ylpyrrolidine is c1csc(N2CCCC2)c1.
What is the InChIKey of 1-thiophen-2-ylpyrrolidine?
The InChIKey is KTQSFEDQGUDURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-6-9(5-1)8-4-3-7-10-8/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-thiophen-2-ylpyrrolidine?
1-thiophen-2-ylpyrrolidine has a molecular weight of 153.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 11469178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).