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

C12H19NOS — CID 114535492

IUPAC3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine
SMILESCCc1ccc(CC2(N)CCOC2C)s1
InChIInChI=1S/C12H19NOS/c1-3-10-4-5-11(15-10)8-12(13)6-7-14-9(12)2/h4-5,9H,3,6-8,13H2,1-2H3
InChIKeyGWUBFZNVTMDJIQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.36
Rot. Bonds3

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

3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine (PubChem CID 114535492) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine
PubChem CID114535492
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine
SMILESCCc1ccc(CC2(N)CCOC2C)s1
InChIInChI=1S/C12H19NOS/c1-3-10-4-5-11(15-10)8-12(13)6-7-14-9(12)2/h4-5,9H,3,6-8,13H2,1-2H3
InChIKeyGWUBFZNVTMDJIQ-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine (CID 114535492) is 3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine is CCc1ccc(CC2(N)CCOC2C)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine?
The InChIKey is GWUBFZNVTMDJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-10-4-5-11(15-10)8-12(13)6-7-14-9(12)2/h4-5,9H,3,6-8,13H2,1-2H3.
What are the key properties of 3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine?
3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine has a molecular weight of 225.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 114535492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).