3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine

C11H20F3NO2S — CID 113348677

IUPAC3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
SMILESCC(CC(F)(F)F)NC1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C11H20F3NO2S/c1-8(7-11(12,13)14)15-9-4-3-5-10(6-9)18(2,16)17/h8-10,15H,3-7H2,1-2H3
InChIKeyCKRMREASTDJYJG-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.27
Rot. Bonds4

About 3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine

3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine (PubChem CID 113348677) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
PubChem CID113348677
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC Name3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
SMILESCC(CC(F)(F)F)NC1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C11H20F3NO2S/c1-8(7-11(12,13)14)15-9-4-3-5-10(6-9)18(2,16)17/h8-10,15H,3-7H2,1-2H3
InChIKeyCKRMREASTDJYJG-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
CID 115721245
N-(4-methylpent-1-yn-3-yl)-3-methylsulfonylcyclohexan-1-amine
CID 114202259
trans-(1R,3R)-N-(2-ethylbutyl)-3-methylsulfonylcyclohexan-1-amine
CID 97096018
3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 79002828
N-(4,4,4-trifluorobutan-2-yl)thian-4-amine
CID 103901644
N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 81399415
N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95949202
3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 104584522
2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol
CID 103993526
1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea
CID 104854890
4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
CID 104860348
N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine
CID 79032448

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine (CID 113348677) is 3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine is CC(CC(F)(F)F)NC1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine?
The InChIKey is CKRMREASTDJYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-8(7-11(12,13)14)15-9-4-3-5-10(6-9)18(2,16)17/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine?
3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 113348677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).