N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide

C13H25F3N2O2S — CID 83047751

IUPACN-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCCCN(C1CCCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O2S/c14-13(15,16)8-4-11-21(19,20)18(10-5-9-17)12-6-2-1-3-7-12/h12H,1-11,17H2
InChIKeyYKNTZYZAZLUEFD-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.64
Rot. Bonds8

About N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide

N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83047751) has the molecular formula C13H25F3N2O2S and a molecular weight of 330.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83047751
Molecular FormulaC13H25F3N2O2S
Molecular Weight330.42 g/mol
Exact Mass330.16
IUPAC NameN-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCCCN(C1CCCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O2S/c14-13(15,16)8-4-11-21(19,20)18(10-5-9-17)12-6-2-1-3-7-12/h12H,1-11,17H2
InChIKeyYKNTZYZAZLUEFD-UHFFFAOYSA-N
XLogP2.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83068235
N-(3-chloropropyl)-N-cyclobutyl-4,4,4-trifluorobutane-1-sulfonamide
CID 102873424
N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide
CID 63244806
N-(3-aminopropyl)-N-cyclopentyl-2-methylsulfonylethanesulfonamide
CID 55173884
N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide
CID 102874325
N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
CID 43137019
N-(3-aminopropyl)-N-cyclopropyl-2-methylsulfonylethanesulfonamide
CID 63245460
N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
CID 43137026
N-(3-aminopropyl)-N-cyclopentyl-2-methylpropane-2-sulfonamide
CID 63688955
N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 63246646
N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide
CID 43319471
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)ethanesulfonamide
CID 102861399

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83047751) is N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide is NCCCN(C1CCCCC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is YKNTZYZAZLUEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O2S/c14-13(15,16)8-4-11-21(19,20)18(10-5-9-17)12-6-2-1-3-7-12/h12H,1-11,17H2.
What are the key properties of N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide?
N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 330.42 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83047751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).