2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine

C5H10F3NO2S — CID 81200993

IUPAC2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2-9)3-12(10,11)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyZXUPUDNWBKDXDC-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.52
Rot. Bonds3

About 2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine

2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine (PubChem CID 81200993) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine
PubChem CID81200993
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine
SMILESCC(CN)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2-9)3-12(10,11)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyZXUPUDNWBKDXDC-UHFFFAOYSA-N
XLogP0.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine (CID 81200993) is 2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine is CC(CN)CS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine?
The InChIKey is ZXUPUDNWBKDXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-4(2-9)3-12(10,11)5(6,7)8/h4H,2-3,9H2,1H3.
What are the key properties of 2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine?
2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine has a molecular weight of 205.20 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethylsulfonyl)propan-1-amine is sourced from PubChem (CID 81200993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).