N-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine

C8H16F3N3O2S — CID 107172813

IUPACN-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine
SMILESO=S(=O)(NCC(F)(F)F)NC1CCCNCC1
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)6-13-17(15,16)14-7-2-1-4-12-5-3-7/h7,12-14H,1-6H2
InChIKeyYKHPPBSTPFWCGS-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.11
Rot. Bonds4

About N-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine

N-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine (PubChem CID 107172813) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine
PubChem CID107172813
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC NameN-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine
SMILESO=S(=O)(NCC(F)(F)F)NC1CCCNCC1
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)6-13-17(15,16)14-7-2-1-4-12-5-3-7/h7,12-14H,1-6H2
InChIKeyYKHPPBSTPFWCGS-UHFFFAOYSA-N
XLogP0.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)azepane-1-sulfonamide
CID 63251227
N-(2,2-difluoroethyl)azepan-4-amine
CID 84656479
4-[Sulfamoyl(3,3,3-trifluoropropyl)amino]piperidine
CID 167049379
N-[(4R)-5,5-difluoroazepan-4-yl]methanesulfonamide
CID 177772366
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,4-diazepane-1-sulfonamide
CID 55010626
N-[6-(trifluoromethyl)piperidin-3-yl]azepane-1-sulfonamide
CID 82794527
N-(3,3-difluoropropyl)azepan-4-amine
CID 84664120
N-(3,3,3-trifluoropropyl)azepan-4-amine
CID 84677696
N-(4,4,4-trifluorobutyl)azepan-4-amine
CID 103982684
N-(5,5,5-trifluoropentyl)azepan-4-amine
CID 103982687
2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine
CID 104978183
2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine
CID 106995784

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine (CID 107172813) is N-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine is O=S(=O)(NCC(F)(F)F)NC1CCCNCC1.
What is the InChIKey of N-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine?
The InChIKey is YKHPPBSTPFWCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c9-8(10,11)6-13-17(15,16)14-7-2-1-4-12-5-3-7/h7,12-14H,1-6H2.
What are the key properties of N-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine?
N-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine has a molecular weight of 275.30 g/mol, XLogP of 0.11, 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)azepan-4-amine is sourced from PubChem (CID 107172813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).