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

C6H14FNO2S — CID 84659191

IUPAC3-(2-fluoropropylsulfonyl)propan-1-amine
SMILESCC(F)CS(=O)(=O)CCCN
InChIInChI=1S/C6H14FNO2S/c1-6(7)5-11(9,10)4-2-3-8/h6H,2-5,8H2,1H3
InChIKeyYQFVUISXZBISHK-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.11
Rot. Bonds5

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

3-(2-fluoropropylsulfonyl)propan-1-amine (PubChem CID 84659191) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(2-fluoropropylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluoropropylsulfonyl)propan-1-amine
PubChem CID84659191
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC Name3-(2-fluoropropylsulfonyl)propan-1-amine
SMILESCC(F)CS(=O)(=O)CCCN
InChIInChI=1S/C6H14FNO2S/c1-6(7)5-11(9,10)4-2-3-8/h6H,2-5,8H2,1H3
InChIKeyYQFVUISXZBISHK-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluoropropylsulfonyl)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-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510
2-fluoro-1-(2-fluoropropylsulfonyl)propane
CID 87624365
3-(3-methylbutylsulfonyl)propan-1-amine
CID 59317374
3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
3-(2-fluoroethylsulfonyl)propan-1-amine
CID 58684365
3-butylsulfonylpropan-1-amine
CID 43615632
5-ethylsulfonylpentan-1-amine
CID 54172156
5-(3-methylbutylsulfonyl)pentan-1-amine
CID 107767380
3-butylsulfonyl-2-methylpropan-1-amine
CID 64698847
1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine
CID 81189453
3-methyl-4-(4,4,5,5,5-pentafluoropentylsulfonyl)butan-1-amine
CID 142791541
2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
CID 81187001

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropylsulfonyl)propan-1-amine?
The IUPAC name of 3-(2-fluoropropylsulfonyl)propan-1-amine (CID 84659191) is 3-(2-fluoropropylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(2-fluoropropylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(2-fluoropropylsulfonyl)propan-1-amine is CC(F)CS(=O)(=O)CCCN.
What is the InChIKey of 3-(2-fluoropropylsulfonyl)propan-1-amine?
The InChIKey is YQFVUISXZBISHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c1-6(7)5-11(9,10)4-2-3-8/h6H,2-5,8H2,1H3.
What are the key properties of 3-(2-fluoropropylsulfonyl)propan-1-amine?
3-(2-fluoropropylsulfonyl)propan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropylsulfonyl)propan-1-amine is sourced from PubChem (CID 84659191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).