2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine

C8H16F3NO2S — CID 103372519

IUPAC2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESCC(C)(C)S(=O)(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-7(2,3)15(13,14)5-6(4-12)8(9,10)11/h6H,4-5,12H2,1-3H3
InChIKeyOUHROBLIWUKKBE-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.34
Rot. Bonds3

About 2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine

2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103372519) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103372519
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC Name2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESCC(C)(C)S(=O)(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-7(2,3)15(13,14)5-6(4-12)8(9,10)11/h6H,4-5,12H2,1-3H3
InChIKeyOUHROBLIWUKKBE-UHFFFAOYSA-N
XLogP1.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-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-(4,4,5,5,5-Pentafluoropentylsulfonyl)butan-1-amine
CID 57320744
3-Trifluoromethanesulfonylpropan-1-amine
CID 58111722
3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
3-[(2,2,3,3-Tetrafluorocyclobutyl)methylsulfonyl]propan-1-amine
CID 58684090
3-(4-Fluorobutylsulfonyl)propan-1-amine
CID 58684230
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
3-(4,4,4-Trifluorobutylsulfonyl)propan-1-amine
CID 58684401
3-(2,2-Difluoroethylsulfonyl)propan-1-amine
CID 58684666
2-(3,3,3-Trifluoropropylsulfonyl)ethanamine
CID 58684689
3-(3,3,3-Trifluoropropylsulfonyl)propan-1-amine
CID 58685040
4,4,4-Trifluoro-3-methylsulfonylbutan-1-amine
CID 64698266
1-(2,2,2-Trifluoroethylsulfonyl)propan-2-amine
CID 81190027

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine (CID 103372519) is 2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine is CC(C)(C)S(=O)(=O)CC(CN)C(F)(F)F.
What is the InChIKey of 2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is OUHROBLIWUKKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-7(2,3)15(13,14)5-6(4-12)8(9,10)11/h6H,4-5,12H2,1-3H3.
What are the key properties of 2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine?
2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 247.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfonylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103372519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).