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

C10H19F3N2O2S — CID 83068625

IUPACN-(4-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCC(NS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)6-1-7-18(16,17)15-9-4-2-8(14)3-5-9/h8-9,15H,1-7,14H2
InChIKeyVMCZNCKXGCDSFT-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.52
Rot. Bonds5

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

N-(4-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83068625) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83068625
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-(4-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCC(NS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)6-1-7-18(16,17)15-9-4-2-8(14)3-5-9/h8-9,15H,1-7,14H2
InChIKeyVMCZNCKXGCDSFT-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

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Related Compounds

2-amino-N-cyclohexylethane-1-sulfonamide hydrochloride
CID 16188493
2-amino-N-cyclohexylethanesulfonamide
CID 3145398
1-Butanesulfonamide, N-cyclohexyl-
CID 47495
N-Cyclohexyl-1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonamide
CID 23462806
N-(4,4-difluorocyclohexyl)cyclopropanesulfonamide
CID 121021911
N-cyclohexyl-3-fluoropropane-1-sulfonamide
CID 129397177
N-[(1S,2S)-2-aminocyclohexyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 88155364
N-cyclohexyl-1,1-difluoroethanesulfonamide
CID 118150833
3,3,3-trifluoro-N-(4-isothiocyanatocyclohexyl)propane-1-sulfonamide
CID 122480191
3,3,3-trifluoro-N-(4-thionitrosocyclohexyl)propane-1-sulfonamide
CID 122503482
N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 123840797
N-cyclohexyl-1-fluoroethanesulfonamide
CID 123992888

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83068625) is N-(4-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide is NC1CCC(NS(=O)(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is VMCZNCKXGCDSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c11-10(12,13)6-1-7-18(16,17)15-9-4-2-8(14)3-5-9/h8-9,15H,1-7,14H2.
What are the key properties of N-(4-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(4-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-(4-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83068625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).