N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine

C11H17NOS2 — CID 63098496

IUPACN-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine
SMILESc1csc(SCCNC2CCOCC2)c1
InChIInChI=1S/C11H17NOS2/c1-2-11(14-8-1)15-9-5-12-10-3-6-13-7-4-10/h1-2,8,10,12H,3-7,9H2
InChIKeyVZYZEYHXHFXSQZ-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.61
Rot. Bonds5

About N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine

N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine (PubChem CID 63098496) has the molecular formula C11H17NOS2 and a molecular weight of 243.40 g/mol. Its IUPAC name is N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine
PubChem CID63098496
Molecular FormulaC11H17NOS2
Molecular Weight243.40 g/mol
Exact Mass243.08
IUPAC NameN-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine
SMILESc1csc(SCCNC2CCOCC2)c1
InChIInChI=1S/C11H17NOS2/c1-2-11(14-8-1)15-9-5-12-10-3-6-13-7-4-10/h1-2,8,10,12H,3-7,9H2
InChIKeyVZYZEYHXHFXSQZ-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine?
The IUPAC name of N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine (CID 63098496) is N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine.
What is the SMILES notation for N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine?
The canonical SMILES for N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine is c1csc(SCCNC2CCOCC2)c1.
What is the InChIKey of N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine?
The InChIKey is VZYZEYHXHFXSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS2/c1-2-11(14-8-1)15-9-5-12-10-3-6-13-7-4-10/h1-2,8,10,12H,3-7,9H2.
What are the key properties of N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine?
N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine has a molecular weight of 243.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine is sourced from PubChem (CID 63098496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).