N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide

C11H21F3N2O2S — CID 83068234

IUPACN-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S/c1-16(10-5-3-9(15)4-6-10)19(17,18)8-2-7-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyBHLUNDMCCDNSTI-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.86
Rot. Bonds5

About N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide

N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (PubChem CID 83068234) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
PubChem CID83068234
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S/c1-16(10-5-3-9(15)4-6-10)19(17,18)8-2-7-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyBHLUNDMCCDNSTI-UHFFFAOYSA-N
XLogP1.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (CID 83068234) is N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is CN(C1CCC(N)CC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The InChIKey is BHLUNDMCCDNSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-16(10-5-3-9(15)4-6-10)19(17,18)8-2-7-11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 83068234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).