N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H21F3N2O2S — CID 62556137

IUPACN-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CCNCCS(C)(=O)=O)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-3-6-15(9-10(11,12)13)7-4-14-5-8-18(2,16)17/h14H,3-9H2,1-2H3
InChIKeyYDWFZDJCNRJJPT-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.89
Rot. Bonds9

About N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62556137) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62556137
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC NameN-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CCNCCS(C)(=O)=O)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-3-6-15(9-10(11,12)13)7-4-14-5-8-18(2,16)17/h14H,3-9H2,1-2H3
InChIKeyYDWFZDJCNRJJPT-UHFFFAOYSA-N
XLogP0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62556137) is N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCN(CCNCCS(C)(=O)=O)CC(F)(F)F.
What is the InChIKey of N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is YDWFZDJCNRJJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-3-6-15(9-10(11,12)13)7-4-14-5-8-18(2,16)17/h14H,3-9H2,1-2H3.
What are the key properties of N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 290.35 g/mol, XLogP of 0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62556137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).