3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine

C7H14F3NO4S2 — CID 103372522

IUPAC3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine
SMILESCS(=O)(=O)CCS(=O)(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C7H14F3NO4S2/c1-16(12,13)2-3-17(14,15)5-6(4-11)7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyZOBDONGNNMTVRN-UHFFFAOYSA-N
MW297.32 g/mol
LogP-0.42
Rot. Bonds6

About 3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine

3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine (PubChem CID 103372522) has the molecular formula C7H14F3NO4S2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine
PubChem CID103372522
Molecular FormulaC7H14F3NO4S2
Molecular Weight297.32 g/mol
Exact Mass297.03
IUPAC Name3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine
SMILESCS(=O)(=O)CCS(=O)(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C7H14F3NO4S2/c1-16(12,13)2-3-17(14,15)5-6(4-11)7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyZOBDONGNNMTVRN-UHFFFAOYSA-N
XLogP-0.42
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine (CID 103372522) is 3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine is CS(=O)(=O)CCS(=O)(=O)CC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine?
The InChIKey is ZOBDONGNNMTVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO4S2/c1-16(12,13)2-3-17(14,15)5-6(4-11)7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine?
3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of -0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-methylsulfonylethylsulfonylmethyl)propan-1-amine is sourced from PubChem (CID 103372522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).