3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine

C6H12FNO2S — CID 58685099

IUPAC3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine
SMILESC=C(F)CS(=O)(=O)CCCN
InChIInChI=1S/C6H12FNO2S/c1-6(7)5-11(9,10)4-2-3-8/h1-5,8H2
InChIKeyZPEMVLYMSRAIOO-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.23
Rot. Bonds5

About 3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine

3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine (PubChem CID 58685099) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine
PubChem CID58685099
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine
SMILESC=C(F)CS(=O)(=O)CCCN
InChIInChI=1S/C6H12FNO2S/c1-6(7)5-11(9,10)4-2-3-8/h1-5,8H2
InChIKeyZPEMVLYMSRAIOO-UHFFFAOYSA-N
XLogP0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluoroprop-2-enylsulfonyl)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-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
3-ethenylsulfonyl-N-fluoropropan-1-amine
CID 53898613
3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
2-(3,4,4-Trifluorobut-3-enylsulfonyl)ethanamine
CID 58684075
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153
3-(4-Fluorobutylsulfonyl)propan-1-amine
CID 58684230
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
2-(4-Fluorobutylsulfonyl)ethanamine
CID 58684295
3-(2-Fluoroethylsulfonyl)propan-1-amine
CID 58684365
3-(4,4,4-Trifluorobutylsulfonyl)propan-1-amine
CID 58684401
2-(2-Fluoroprop-2-enylsulfinyl)ethanamine
CID 58684422
3-(2-Fluoroprop-2-enylsulfinyl)propan-1-amine
CID 58684458

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine?
The IUPAC name of 3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine (CID 58685099) is 3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine is C=C(F)CS(=O)(=O)CCCN.
What is the InChIKey of 3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine?
The InChIKey is ZPEMVLYMSRAIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-6(7)5-11(9,10)4-2-3-8/h1-5,8H2.
What are the key properties of 3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine?
3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroprop-2-enylsulfonyl)propan-1-amine is sourced from PubChem (CID 58685099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).