3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine

C11H14ClNOS — CID 116870860

IUPAC3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine
SMILESClc1ccc(C2(C3CCNC3)COC2)s1
InChIInChI=1S/C11H14ClNOS/c12-10-2-1-9(15-10)11(6-14-7-11)8-3-4-13-5-8/h1-2,8,13H,3-7H2
InChIKeyDBIDBZSEKDGWBT-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.28
Rot. Bonds2

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

3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine (PubChem CID 116870860) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine.

Molecular Properties

Compound Name3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine
PubChem CID116870860
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine
SMILESClc1ccc(C2(C3CCNC3)COC2)s1
InChIInChI=1S/C11H14ClNOS/c12-10-2-1-9(15-10)11(6-14-7-11)8-3-4-13-5-8/h1-2,8,13H,3-7H2
InChIKeyDBIDBZSEKDGWBT-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine?
The IUPAC name of 3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine (CID 116870860) is 3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine.
What is the SMILES notation for 3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine?
The canonical SMILES for 3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine is Clc1ccc(C2(C3CCNC3)COC2)s1.
What is the InChIKey of 3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine?
The InChIKey is DBIDBZSEKDGWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-10-2-1-9(15-10)11(6-14-7-11)8-3-4-13-5-8/h1-2,8,13H,3-7H2.
What are the key properties of 3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine?
3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine has a molecular weight of 243.76 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]pyrrolidine is sourced from PubChem (CID 116870860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).