2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C9H19F3N2O2S — CID 79858608

IUPAC2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)CCS(C)(=O)=O
InChIInChI=1S/C9H19F3N2O2S/c1-8(6-13-7-9(10,11)12)14(2)4-5-17(3,15)16/h8,13H,4-7H2,1-3H3
InChIKeyMQOIFCSKUNNTOD-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.50
Rot. Bonds7

About 2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 79858608) has the molecular formula C9H19F3N2O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID79858608
Molecular FormulaC9H19F3N2O2S
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC Name2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)CCS(C)(=O)=O
InChIInChI=1S/C9H19F3N2O2S/c1-8(6-13-7-9(10,11)12)14(2)4-5-17(3,15)16/h8,13H,4-7H2,1-3H3
InChIKeyMQOIFCSKUNNTOD-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 79858608) is 2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CC(CNCC(F)(F)F)N(C)CCS(C)(=O)=O.
What is the InChIKey of 2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is MQOIFCSKUNNTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2S/c1-8(6-13-7-9(10,11)12)14(2)4-5-17(3,15)16/h8,13H,4-7H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 276.32 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylsulfonylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 79858608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).