N-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine

C7H12F3N3O2S — CID 114810340

IUPACN-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESO=S(=O)(NCC(F)(F)F)NC1C2CNCC21
InChIInChI=1S/C7H12F3N3O2S/c8-7(9,10)3-12-16(14,15)13-6-4-1-11-2-5(4)6/h4-6,11-13H,1-3H2
InChIKeyPBWAYLQIWQZMHG-UHFFFAOYSA-N
MW259.25 g/mol
LogP-0.81
Rot. Bonds4

About N-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine

N-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 114810340) has the molecular formula C7H12F3N3O2S and a molecular weight of 259.25 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID114810340
Molecular FormulaC7H12F3N3O2S
Molecular Weight259.25 g/mol
Exact Mass259.06
IUPAC NameN-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESO=S(=O)(NCC(F)(F)F)NC1C2CNCC21
InChIInChI=1S/C7H12F3N3O2S/c8-7(9,10)3-12-16(14,15)13-6-4-1-11-2-5(4)6/h4-6,11-13H,1-3H2
InChIKeyPBWAYLQIWQZMHG-UHFFFAOYSA-N
XLogP-0.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide
CID 43597418
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide
CID 43597444
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 43602825
3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65773003
4-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65773960
N-cyclopropyl-3-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65784237
3-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65785773
N-cyclopropyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65786920
3-[(cyclopropylamino)methyl]-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide
CID 65798222
4-[(cyclopropylamino)methyl]-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide
CID 65799180
4-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65800228
3-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65800229

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 114810340) is N-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine is O=S(=O)(NCC(F)(F)F)NC1C2CNCC21.
What is the InChIKey of N-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is PBWAYLQIWQZMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O2S/c8-7(9,10)3-12-16(14,15)13-6-4-1-11-2-5(4)6/h4-6,11-13H,1-3H2.
What are the key properties of N-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine?
N-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 259.25 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethylsulfamoyl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 114810340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).