N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide

C8H15F3N2O2S — CID 79121069

IUPACN-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-13(16(14,15)8(9,10)11)7-4-2-6(12)3-5-7/h6-7H,2-5,12H2,1H3
InChIKeySUNRCRRHTSHVQJ-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.04
Rot. Bonds2

About N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide

N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide (PubChem CID 79121069) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
PubChem CID79121069
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC NameN-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-13(16(14,15)8(9,10)11)7-4-2-6(12)3-5-7/h6-7H,2-5,12H2,1H3
InChIKeySUNRCRRHTSHVQJ-UHFFFAOYSA-N
XLogP1.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide (CID 79121069) is N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide is CN(C1CCC(N)CC1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The InChIKey is SUNRCRRHTSHVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-13(16(14,15)8(9,10)11)7-4-2-6(12)3-5-7/h6-7H,2-5,12H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1,1,1-trifluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 79121069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).