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

C10H19F3N2O2S — CID 62554664

IUPACN'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCS(=O)(=O)CCNCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)7-5-14-4-6-15(9-2-3-9)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyJVTSJVLZEUOVJJ-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.65
Rot. Bonds8

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

N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62554664) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62554664
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCS(=O)(=O)CCNCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)7-5-14-4-6-15(9-2-3-9)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyJVTSJVLZEUOVJJ-UHFFFAOYSA-N
XLogP0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.65
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'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62554664) is N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CS(=O)(=O)CCNCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is JVTSJVLZEUOVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-18(16,17)7-5-14-4-6-15(9-2-3-9)8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 288.34 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).