3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

C12H19NOS — CID 65156609

IUPAC3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESc1csc(CNCCCC2CCCO2)c1
InChIInChI=1S/C12H19NOS/c1(4-11-5-2-8-14-11)7-13-10-12-6-3-9-15-12/h3,6,9,11,13H,1-2,4-5,7-8,10H2
InChIKeyIWUQWUKUVQCGBG-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.80
Rot. Bonds6

About 3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 65156609) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID65156609
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESc1csc(CNCCCC2CCCO2)c1
InChIInChI=1S/C12H19NOS/c1(4-11-5-2-8-14-11)7-13-10-12-6-3-9-15-12/h3,6,9,11,13H,1-2,4-5,7-8,10H2
InChIKeyIWUQWUKUVQCGBG-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 65156609) is 3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is c1csc(CNCCCC2CCCO2)c1.
What is the InChIKey of 3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is IWUQWUKUVQCGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1(4-11-5-2-8-14-11)7-13-10-12-6-3-9-15-12/h3,6,9,11,13H,1-2,4-5,7-8,10H2.
What are the key properties of 3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 65156609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).