3-fluoro-5-propylsulfonylpentan-1-amine

C8H18FNO2S — CID 106735968

IUPAC3-fluoro-5-propylsulfonylpentan-1-amine
SMILESCCCS(=O)(=O)CCC(F)CCN
InChIInChI=1S/C8H18FNO2S/c1-2-6-13(11,12)7-4-8(9)3-5-10/h8H,2-7,10H2,1H3
InChIKeyVATXPXSZKBNZOL-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.89
Rot. Bonds7

About 3-fluoro-5-propylsulfonylpentan-1-amine

3-fluoro-5-propylsulfonylpentan-1-amine (PubChem CID 106735968) has the molecular formula C8H18FNO2S and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-fluoro-5-propylsulfonylpentan-1-amine.

Molecular Properties

Compound Name3-fluoro-5-propylsulfonylpentan-1-amine
PubChem CID106735968
Molecular FormulaC8H18FNO2S
Molecular Weight211.30 g/mol
Exact Mass211.10
IUPAC Name3-fluoro-5-propylsulfonylpentan-1-amine
SMILESCCCS(=O)(=O)CCC(F)CCN
InChIInChI=1S/C8H18FNO2S/c1-2-6-13(11,12)7-4-8(9)3-5-10/h8H,2-7,10H2,1H3
InChIKeyVATXPXSZKBNZOL-UHFFFAOYSA-N
XLogP0.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-5-propylsulfonylpentan-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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propylsulfonylpentan-1-amine?
The IUPAC name of 3-fluoro-5-propylsulfonylpentan-1-amine (CID 106735968) is 3-fluoro-5-propylsulfonylpentan-1-amine.
What is the SMILES notation for 3-fluoro-5-propylsulfonylpentan-1-amine?
The canonical SMILES for 3-fluoro-5-propylsulfonylpentan-1-amine is CCCS(=O)(=O)CCC(F)CCN.
What is the InChIKey of 3-fluoro-5-propylsulfonylpentan-1-amine?
The InChIKey is VATXPXSZKBNZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2S/c1-2-6-13(11,12)7-4-8(9)3-5-10/h8H,2-7,10H2,1H3.
What are the key properties of 3-fluoro-5-propylsulfonylpentan-1-amine?
3-fluoro-5-propylsulfonylpentan-1-amine has a molecular weight of 211.30 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propylsulfonylpentan-1-amine is sourced from PubChem (CID 106735968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).