3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane

C10H22F3N3O2S — CID 114803913

IUPAC3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H22F3N3O2S/c1-4-9(5-2,7-14)16(6-3)19(17,18)15-8-10(11,12)13/h15H,4-8,14H2,1-3H3
InChIKeyMOGCSIDASREQCM-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.22
Rot. Bonds8

About 3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane

3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane (PubChem CID 114803913) has the molecular formula C10H22F3N3O2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane.

Molecular Properties

Compound Name3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane
PubChem CID114803913
Molecular FormulaC10H22F3N3O2S
Molecular Weight305.37 g/mol
Exact Mass305.14
IUPAC Name3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H22F3N3O2S/c1-4-9(5-2,7-14)16(6-3)19(17,18)15-8-10(11,12)13/h15H,4-8,14H2,1-3H3
InChIKeyMOGCSIDASREQCM-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane?
The IUPAC name of 3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane (CID 114803913) is 3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane.
What is the SMILES notation for 3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane?
The canonical SMILES for 3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane is CCN(C(CC)(CC)CN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane?
The InChIKey is MOGCSIDASREQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22F3N3O2S/c1-4-9(5-2,7-14)16(6-3)19(17,18)15-8-10(11,12)13/h15H,4-8,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane?
3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane has a molecular weight of 305.37 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane is sourced from PubChem (CID 114803913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).