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

C10H14ClNS — CID 57428859

IUPAC1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine
SMILESClc1sccc1CCN1CCCC1
InChIInChI=1S/C10H14ClNS/c11-10-9(4-8-13-10)3-7-12-5-1-2-6-12/h4,8H,1-3,5-7H2
InChIKeyRQMNOWUXNOAMKG-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.04
Rot. Bonds3

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

1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine (PubChem CID 57428859) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine
PubChem CID57428859
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine
SMILESClc1sccc1CCN1CCCC1
InChIInChI=1S/C10H14ClNS/c11-10-9(4-8-13-10)3-7-12-5-1-2-6-12/h4,8H,1-3,5-7H2
InChIKeyRQMNOWUXNOAMKG-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22364204
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(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 120845906
2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline
CID 69243244
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CID 62495227
2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol
CID 174438456
4-chloro-1-(2-thiophen-3-ylethyl)azepane
CID 130637760
5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole
CID 164753506
2-[4-(2-pyrrolidin-1-ylethyl)phenyl]propan-2-amine
CID 117337032
4-(2-piperidin-1-ylethyl)benzene-1,3-diamine
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1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine (CID 57428859) is 1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine is Clc1sccc1CCN1CCCC1.
What is the InChIKey of 1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine?
The InChIKey is RQMNOWUXNOAMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c11-10-9(4-8-13-10)3-7-12-5-1-2-6-12/h4,8H,1-3,5-7H2.
What are the key properties of 1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine?
1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine has a molecular weight of 215.75 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine is sourced from PubChem (CID 57428859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).