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

C11H16ClNOS — CID 43692572

IUPAC1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-8(10-2-3-11(12)15-10)13-6-9-4-5-14-7-9/h2-3,8-9,13H,4-7H2,1H3
InChIKeyVZTCSLXMBJKYNJ-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.09
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 43692572) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID43692572
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-8(10-2-3-11(12)15-10)13-6-9-4-5-14-7-9/h2-3,8-9,13H,4-7H2,1H3
InChIKeyVZTCSLXMBJKYNJ-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 43692572) is 1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine is CC(NCC1CCOC1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is VZTCSLXMBJKYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-8(10-2-3-11(12)15-10)13-6-9-4-5-14-7-9/h2-3,8-9,13H,4-7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine?
1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 245.77 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 43692572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).