(2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine

C11H10ClNS — CID 130618151

IUPAC(2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine
SMILESClc1ccc2cc([C@H]3CCN3)sc2c1
InChIInChI=1S/C11H10ClNS/c12-8-2-1-7-5-11(9-3-4-13-9)14-10(7)6-8/h1-2,5-6,9,13H,3-4H2/t9-/m1/s1
InChIKeyVBYVQTNHEKNJHP-SECBINFHSA-N
MW223.73 g/mol
LogP3.59
Rot. Bonds1

About (2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine

(2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine (PubChem CID 130618151) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is (2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine.

Molecular Properties

Compound Name(2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine
PubChem CID130618151
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC Name(2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine
SMILESClc1ccc2cc([C@H]3CCN3)sc2c1
InChIInChI=1S/C11H10ClNS/c12-8-2-1-7-5-11(9-3-4-13-9)14-10(7)6-8/h1-2,5-6,9,13H,3-4H2/t9-/m1/s1
InChIKeyVBYVQTNHEKNJHP-SECBINFHSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine?
The IUPAC name of (2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine (CID 130618151) is (2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine.
What is the SMILES notation for (2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine?
The canonical SMILES for (2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine is Clc1ccc2cc([C@H]3CCN3)sc2c1.
What is the InChIKey of (2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine?
The InChIKey is VBYVQTNHEKNJHP-SECBINFHSA-N. The full InChI is InChI=1S/C11H10ClNS/c12-8-2-1-7-5-11(9-3-4-13-9)14-10(7)6-8/h1-2,5-6,9,13H,3-4H2/t9-/m1/s1.
What are the key properties of (2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine?
(2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine has a molecular weight of 223.73 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-chloro-1-benzothiophen-2-yl)azetidine is sourced from PubChem (CID 130618151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).