3-(2-fluoroethylsulfonyl)propan-1-amine

C5H12FNO2S — CID 58684365

IUPAC3-(2-fluoroethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CCF
InChIInChI=1S/C5H12FNO2S/c6-2-5-10(8,9)4-1-3-7/h1-5,7H2
InChIKeyLEAXXEJSOCAGIZ-UHFFFAOYSA-N
MW169.22 g/mol
LogP-0.28
Rot. Bonds5

About 3-(2-fluoroethylsulfonyl)propan-1-amine

3-(2-fluoroethylsulfonyl)propan-1-amine (PubChem CID 58684365) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-(2-fluoroethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluoroethylsulfonyl)propan-1-amine
PubChem CID58684365
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC Name3-(2-fluoroethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CCF
InChIInChI=1S/C5H12FNO2S/c6-2-5-10(8,9)4-1-3-7/h1-5,7H2
InChIKeyLEAXXEJSOCAGIZ-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

Analyze 3-(2-fluoroethylsulfonyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
3-butylsulfonylpropan-1-amine
CID 43615632
3-(3,4,4-trifluorobut-3-enylsulfonyl)propan-1-amine
CID 58684554
3-(3-methylbutylsulfonyl)propan-1-amine
CID 59317374
5-(2-fluoroethylsulfonyl)pentanoic acid
CID 117098088
3-(2-fluoropropylsulfonyl)propan-1-amine
CID 84659191
3-[(E)-pent-3-enyl]sulfonylpropan-1-amine
CID 58684847
3-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510
5-butylsulfonylpentan-1-amine
CID 64698649
3-(5-aminopentylsulfonyl)propan-1-ol
CID 170915360
2-(6-aminohexylsulfonyl)ethanol
CID 170917653
5-ethylsulfonylpentan-1-amine
CID 54172156

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylsulfonyl)propan-1-amine?
The IUPAC name of 3-(2-fluoroethylsulfonyl)propan-1-amine (CID 58684365) is 3-(2-fluoroethylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(2-fluoroethylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(2-fluoroethylsulfonyl)propan-1-amine is NCCCS(=O)(=O)CCF.
What is the InChIKey of 3-(2-fluoroethylsulfonyl)propan-1-amine?
The InChIKey is LEAXXEJSOCAGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c6-2-5-10(8,9)4-1-3-7/h1-5,7H2.
What are the key properties of 3-(2-fluoroethylsulfonyl)propan-1-amine?
3-(2-fluoroethylsulfonyl)propan-1-amine 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 3-(2-fluoroethylsulfonyl)propan-1-amine is sourced from PubChem (CID 58684365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).