2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine

C17H19NOS — CID 64653976

IUPAC2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine
SMILESCCS(=O)CC(N)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H19NOS/c1-2-20(19)11-17(18)13-7-8-16-14(10-13)9-12-5-3-4-6-15(12)16/h3-8,10,17H,2,9,11,18H2,1H3
InChIKeyXRALDPJJHYVWRE-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.03
Rot. Bonds4

About 2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine

2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine (PubChem CID 64653976) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine.

Molecular Properties

Compound Name2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine
PubChem CID64653976
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine
SMILESCCS(=O)CC(N)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H19NOS/c1-2-20(19)11-17(18)13-7-8-16-14(10-13)9-12-5-3-4-6-15(12)16/h3-8,10,17H,2,9,11,18H2,1H3
InChIKeyXRALDPJJHYVWRE-UHFFFAOYSA-N
XLogP3.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine?
The IUPAC name of 2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine (CID 64653976) is 2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine.
What is the SMILES notation for 2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine?
The canonical SMILES for 2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine is CCS(=O)CC(N)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine?
The InChIKey is XRALDPJJHYVWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-20(19)11-17(18)13-7-8-16-14(10-13)9-12-5-3-4-6-15(12)16/h3-8,10,17H,2,9,11,18H2,1H3.
What are the key properties of 2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine?
2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine has a molecular weight of 285.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine is sourced from PubChem (CID 64653976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).