N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide

C9H16F3NO2S — CID 127432215

IUPACN-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2S/c1-16(14,15)13-6-7-3-2-4-8(5-7)9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyQQSQIZCNWQZGCK-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.90
Rot. Bonds3

About N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide

N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide (PubChem CID 127432215) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide
PubChem CID127432215
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC NameN-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2S/c1-16(14,15)13-6-7-3-2-4-8(5-7)9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyQQSQIZCNWQZGCK-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide (CID 127432215) is N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide?
The InChIKey is QQSQIZCNWQZGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-16(14,15)13-6-7-3-2-4-8(5-7)9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide?
N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide has a molecular weight of 259.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide is sourced from PubChem (CID 127432215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).