2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine

C10H14ClNOS — CID 126997525

IUPAC2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
SMILESNC(Cc1csc(Cl)c1)C1CCOC1
InChIInChI=1S/C10H14ClNOS/c11-10-4-7(6-14-10)3-9(12)8-1-2-13-5-8/h4,6,8-9H,1-3,5,12H2
InChIKeyRKFBRZROUZXRJB-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.31
Rot. Bonds3

About 2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine

2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine (PubChem CID 126997525) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
PubChem CID126997525
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
SMILESNC(Cc1csc(Cl)c1)C1CCOC1
InChIInChI=1S/C10H14ClNOS/c11-10-4-7(6-14-10)3-9(12)8-1-2-13-5-8/h4,6,8-9H,1-3,5,12H2
InChIKeyRKFBRZROUZXRJB-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine (CID 126997525) is 2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine is NC(Cc1csc(Cl)c1)C1CCOC1.
What is the InChIKey of 2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is RKFBRZROUZXRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c11-10-4-7(6-14-10)3-9(12)8-1-2-13-5-8/h4,6,8-9H,1-3,5,12H2.
What are the key properties of 2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine?
2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 231.75 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-3-yl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 126997525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).