2-(3-fluoropropylsulfonyl)ethanamine

C5H12FNO2S — CID 58684867

IUPAC2-(3-fluoropropylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCCF
InChIInChI=1S/C5H12FNO2S/c6-2-1-4-10(8,9)5-3-7/h1-5,7H2
InChIKeyZBBCBAHJOURGAX-UHFFFAOYSA-N
MW169.22 g/mol
LogP-0.28
Rot. Bonds5

About 2-(3-fluoropropylsulfonyl)ethanamine

2-(3-fluoropropylsulfonyl)ethanamine (PubChem CID 58684867) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoropropylsulfonyl)ethanamine
PubChem CID58684867
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC Name2-(3-fluoropropylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCCF
InChIInChI=1S/C5H12FNO2S/c6-2-1-4-10(8,9)5-3-7/h1-5,7H2
InChIKeyZBBCBAHJOURGAX-UHFFFAOYSA-N
XLogP-0.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfonyl)ethanamine?
The IUPAC name of 2-(3-fluoropropylsulfonyl)ethanamine (CID 58684867) is 2-(3-fluoropropylsulfonyl)ethanamine.
What is the SMILES notation for 2-(3-fluoropropylsulfonyl)ethanamine?
The canonical SMILES for 2-(3-fluoropropylsulfonyl)ethanamine is NCCS(=O)(=O)CCCF.
What is the InChIKey of 2-(3-fluoropropylsulfonyl)ethanamine?
The InChIKey is ZBBCBAHJOURGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c6-2-1-4-10(8,9)5-3-7/h1-5,7H2.
What are the key properties of 2-(3-fluoropropylsulfonyl)ethanamine?
2-(3-fluoropropylsulfonyl)ethanamine has a molecular weight of 169.22 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfonyl)ethanamine is sourced from PubChem (CID 58684867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).