3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine

C10H14ClNS — CID 83910004

IUPAC3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine
SMILESCC(c1ccc(Cl)s1)C1CCNC1
InChIInChI=1S/C10H14ClNS/c1-7(8-4-5-12-6-8)9-2-3-10(11)13-9/h2-3,7-8,12H,4-6H2,1H3
InChIKeyRIJVXNPFRFZNAG-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.11
Rot. Bonds2

About 3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine

3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine (PubChem CID 83910004) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine
PubChem CID83910004
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine
SMILESCC(c1ccc(Cl)s1)C1CCNC1
InChIInChI=1S/C10H14ClNS/c1-7(8-4-5-12-6-8)9-2-3-10(11)13-9/h2-3,7-8,12H,4-6H2,1H3
InChIKeyRIJVXNPFRFZNAG-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-chlorothiophen-2-yl)-piperidin-4-ylmethanamine
CID 95448503
N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine
CID 115118693
N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 43705040
3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine
CID 112715433
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830
2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470836
N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine
CID 66184209
4-(1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115023128
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935488
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745
1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64947386
4-(2-methyl-1-pyrrolidin-3-ylpropyl)pyridine
CID 83908704

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine (CID 83910004) is 3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine is CC(c1ccc(Cl)s1)C1CCNC1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine?
The InChIKey is RIJVXNPFRFZNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-7(8-4-5-12-6-8)9-2-3-10(11)13-9/h2-3,7-8,12H,4-6H2,1H3.
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine?
3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine has a molecular weight of 215.75 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 83910004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).