1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine

C6H12F3NO2S — CID 81188635

IUPAC1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine
SMILESCC(N)CS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-5(10)4-13(11,12)3-2-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyGMPXPGHTAPXALF-UHFFFAOYSA-N
MW219.23 g/mol
LogP0.70
Rot. Bonds4

About 1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine

1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine (PubChem CID 81188635) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine
PubChem CID81188635
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC Name1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine
SMILESCC(N)CS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-5(10)4-13(11,12)3-2-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyGMPXPGHTAPXALF-UHFFFAOYSA-N
XLogP0.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,3,3-trifluoropropylsulfonyl)propan-2-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

(2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane
CID 130294591
1-[3-(2,2,2-trifluoroethoxy)propylsulfonyl]propan-2-amine
CID 81188523
1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine
CID 81189453
2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 130236498
3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide
CID 81189559
6-ethylsulfonyl-4,4-dimethylhexan-2-amine
CID 106732358
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
3-(3,3,3-trifluoropropylsulfonyl)propyl acetate
CID 174660202
N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106125756
2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine
CID 65257088
1,1,1-trifluoro-4-(4,4,4-trifluorobutylsulfonyl)butane
CID 87090137
2-methyl-7-(3,3,3-trifluoropropylsulfonyl)heptan-2-ol
CID 160780783

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine?
The IUPAC name of 1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine (CID 81188635) is 1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine.
What is the SMILES notation for 1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine?
The canonical SMILES for 1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine is CC(N)CS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine?
The InChIKey is GMPXPGHTAPXALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c1-5(10)4-13(11,12)3-2-6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine?
1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine has a molecular weight of 219.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine is sourced from PubChem (CID 81188635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).