2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine

C15H17NOS — CID 71981378

IUPAC2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine
SMILESc1ccc(C2OCCC2NCc2ccsc2)cc1
InChIInChI=1S/C15H17NOS/c1-2-4-13(5-3-1)15-14(6-8-17-15)16-10-12-7-9-18-11-12/h1-5,7,9,11,14-16H,6,8,10H2
InChIKeyCEMPNKUGXBIHIH-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.37
Rot. Bonds4

About 2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine

2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine (PubChem CID 71981378) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine
PubChem CID71981378
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine
SMILESc1ccc(C2OCCC2NCc2ccsc2)cc1
InChIInChI=1S/C15H17NOS/c1-2-4-13(5-3-1)15-14(6-8-17-15)16-10-12-7-9-18-11-12/h1-5,7,9,11,14-16H,6,8,10H2
InChIKeyCEMPNKUGXBIHIH-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine?
The IUPAC name of 2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine (CID 71981378) is 2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine.
What is the SMILES notation for 2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine?
The canonical SMILES for 2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine is c1ccc(C2OCCC2NCc2ccsc2)cc1.
What is the InChIKey of 2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine?
The InChIKey is CEMPNKUGXBIHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-4-13(5-3-1)15-14(6-8-17-15)16-10-12-7-9-18-11-12/h1-5,7,9,11,14-16H,6,8,10H2.
What are the key properties of 2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine?
2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine has a molecular weight of 259.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 71981378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).