N-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide

C8H14F3NO2S — CID 67477256

IUPACN-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c9-8(10,11)15(13,14)12-6-7-4-2-1-3-5-7/h7,12H,1-6H2
InChIKeyXEHFZDDRWWVIFN-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.01
Rot. Bonds3

About N-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide

N-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 67477256) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID67477256
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC NameN-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c9-8(10,11)15(13,14)12-6-7-4-2-1-3-5-7/h7,12H,1-6H2
InChIKeyXEHFZDDRWWVIFN-UHFFFAOYSA-N
XLogP2.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide (CID 67477256) is N-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCC1CCCCC1)C(F)(F)F.
What is the InChIKey of N-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is XEHFZDDRWWVIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c9-8(10,11)15(13,14)12-6-7-4-2-1-3-5-7/h7,12H,1-6H2.
What are the key properties of N-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide?
N-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 245.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 67477256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).