1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine

C12H23NO2S — CID 104754764

IUPAC1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine
SMILESNC(CS(=O)C1CCOCC1)C1CCCC1
InChIInChI=1S/C12H23NO2S/c13-12(10-3-1-2-4-10)9-16(14)11-5-7-15-8-6-11/h10-12H,1-9,13H2
InChIKeyMCEDKRUAWGVXDP-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.43
Rot. Bonds4

About 1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine

1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine (PubChem CID 104754764) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine
PubChem CID104754764
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine
SMILESNC(CS(=O)C1CCOCC1)C1CCCC1
InChIInChI=1S/C12H23NO2S/c13-12(10-3-1-2-4-10)9-16(14)11-5-7-15-8-6-11/h10-12H,1-9,13H2
InChIKeyMCEDKRUAWGVXDP-UHFFFAOYSA-N
XLogP1.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine?
The IUPAC name of 1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine (CID 104754764) is 1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine?
The canonical SMILES for 1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine is NC(CS(=O)C1CCOCC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine?
The InChIKey is MCEDKRUAWGVXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c13-12(10-3-1-2-4-10)9-16(14)11-5-7-15-8-6-11/h10-12H,1-9,13H2.
What are the key properties of 1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine?
1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine has a molecular weight of 245.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(oxan-4-ylsulfinyl)ethanamine is sourced from PubChem (CID 104754764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).