3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine

C10H14ClNOS — CID 114535508

IUPAC3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1(N)Cc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-7-10(12,4-5-13-7)6-8-2-3-9(11)14-8/h2-3,7H,4-6,12H2,1H3
InChIKeyZQWLFSFASICRGZ-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.45
Rot. Bonds2

About 3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine

3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine (PubChem CID 114535508) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine
PubChem CID114535508
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1(N)Cc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-7-10(12,4-5-13-7)6-8-2-3-9(11)14-8/h2-3,7H,4-6,12H2,1H3
InChIKeyZQWLFSFASICRGZ-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine 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 3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine (CID 114535508) is 3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine is CC1OCCC1(N)Cc1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine?
The InChIKey is ZQWLFSFASICRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-7-10(12,4-5-13-7)6-8-2-3-9(11)14-8/h2-3,7H,4-6,12H2,1H3.
What are the key properties of 3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine?
3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine has a molecular weight of 231.75 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 114535508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).