N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H19F3N2O2S — CID 83059853

IUPACN-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)6-3-7-18(16,17)15-9-5-2-1-4-8(9)14/h8-9,15H,1-7,14H2
InChIKeySFBIATZJMLLQGR-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.52
Rot. Bonds5

About N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059853) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059853
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)6-3-7-18(16,17)15-9-5-2-1-4-8(9)14/h8-9,15H,1-7,14H2
InChIKeySFBIATZJMLLQGR-UHFFFAOYSA-N
XLogP1.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(chloromethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114179813
N-(2-aminocycloheptyl)butane-1-sulfonamide
CID 63258980
N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
CID 93452968
trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine
CID 102725003
3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
CID 63258358
N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide
CID 63258881
4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide
CID 99920907
N-(2-aminocyclohexyl)-1-cycloheptylmethanesulfonamide
CID 59537369
N-(2-aminocyclopentyl)-3-methylbutane-1-sulfonamide
CID 63857525
N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
CID 87792256
N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067717
N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537672

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059853) is N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide is NC1CCCCC1NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is SFBIATZJMLLQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c11-10(12,13)6-3-7-18(16,17)15-9-5-2-1-4-8(9)14/h8-9,15H,1-7,14H2.
What are the key properties of N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).