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

C10H14ClNO2S — CID 75504700

IUPAC1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1OCCO1)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c1-7(8-2-3-9(11)15-8)12-6-10-13-4-5-14-10/h2-3,7,10,12H,4-6H2,1H3
InChIKeyKZQVWXFGFAIWLS-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.42
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine (PubChem CID 75504700) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine
PubChem CID75504700
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1OCCO1)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c1-7(8-2-3-9(11)15-8)12-6-10-13-4-5-14-10/h2-3,7,10,12H,4-6H2,1H3
InChIKeyKZQVWXFGFAIWLS-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine (CID 75504700) is 1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine is CC(NCC1OCCO1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine?
The InChIKey is KZQVWXFGFAIWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-7(8-2-3-9(11)15-8)12-6-10-13-4-5-14-10/h2-3,7,10,12H,4-6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine?
1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine has a molecular weight of 247.75 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(1,3-dioxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 75504700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).