3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine

C7H14F3NO2S — CID 64629559

IUPAC3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine
SMILESCC(CS(C)(=O)=O)NCCC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(5-14(2,12)13)11-4-3-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyDYBHXQNPYBNWSF-UHFFFAOYSA-N
MW233.25 g/mol
LogP0.96
Rot. Bonds5

About 3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine

3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine (PubChem CID 64629559) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine
PubChem CID64629559
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC Name3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine
SMILESCC(CS(C)(=O)=O)NCCC(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-6(5-14(2,12)13)11-4-3-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyDYBHXQNPYBNWSF-UHFFFAOYSA-N
XLogP0.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Ethylamino)tetrahydrothiophene 1,1-dioxide
CID 2772117
(1-Methanesulfonylpropan-2-yl)(methyl)amine
CID 54592895
(3-Methanesulfonylbutan-2-yl)(methyl)amine
CID 54593119
(2-Methanesulfonylethyl)(propan-2-yl)amine
CID 60708370
3-(Propylamino)-1lambda6-thiolane-1,1-dione
CID 3703923
Ethyl(1-methanesulfonylpropan-2-yl)amine
CID 54592972
N-(1-methanesulfonylpropan-2-yl)cyclopropanamine
CID 54592973
1,1,1,2,2-pentafluoro-N-methyl-5-propylsulfonylpentan-3-amine
CID 21714872
1-(2,2,2-Trifluoroethylsulfonyl)propan-2-amine
CID 81190027
4-(3,3,3-Trifluoropropylsulfonyl)butan-2-amine
CID 81194635
N-Ethyl-3-[(3,3,3-trifluoropropyl)sulphonyl]propane-1-amine
CID 86696811
N-Methyl-4-[(3,3,3-trifluoropropyl)sulphonyl]butane-1-amine
CID 86696823

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine (CID 64629559) is 3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine is CC(CS(C)(=O)=O)NCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine?
The InChIKey is DYBHXQNPYBNWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-6(5-14(2,12)13)11-4-3-7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine?
3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine has a molecular weight of 233.25 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1-methylsulfonylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 64629559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).