2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine

C11H21NOS — CID 80621767

IUPAC2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
SMILESNC(CC1CCOCC1)C1CCCS1
InChIInChI=1S/C11H21NOS/c12-10(11-2-1-7-14-11)8-9-3-5-13-6-4-9/h9-11H,1-8,12H2
InChIKeyIDGSMIZVYOPTLR-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.03
Rot. Bonds3

About 2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine

2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine (PubChem CID 80621767) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
PubChem CID80621767
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
SMILESNC(CC1CCOCC1)C1CCCS1
InChIInChI=1S/C11H21NOS/c12-10(11-2-1-7-14-11)8-9-3-5-13-6-4-9/h9-11H,1-8,12H2
InChIKeyIDGSMIZVYOPTLR-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine?
The IUPAC name of 2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine (CID 80621767) is 2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for 2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine is NC(CC1CCOCC1)C1CCCS1.
What is the InChIKey of 2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine?
The InChIKey is IDGSMIZVYOPTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c12-10(11-2-1-7-14-11)8-9-3-5-13-6-4-9/h9-11H,1-8,12H2.
What are the key properties of 2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine?
2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine has a molecular weight of 215.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 80621767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).