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

C11H20F3NS — CID 115721245

IUPAC3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
SMILESCSC1CCCC(NC(C)CC(F)(F)F)C1
InChIInChI=1S/C11H20F3NS/c1-8(7-11(12,13)14)15-9-4-3-5-10(6-9)16-2/h8-10,15H,3-7H2,1-2H3
InChIKeyCIRSFSJNYFWNRZ-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.59
Rot. Bonds4

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

3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine (PubChem CID 115721245) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
PubChem CID115721245
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
SMILESCSC1CCCC(NC(C)CC(F)(F)F)C1
InChIInChI=1S/C11H20F3NS/c1-8(7-11(12,13)14)15-9-4-3-5-10(6-9)16-2/h8-10,15H,3-7H2,1-2H3
InChIKeyCIRSFSJNYFWNRZ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methylsulfanyl-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-methylsulfonyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
CID 113348677
N-(4-methoxy-4-methylpentan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115724640
N-(4,4,4-trifluorobutan-2-yl)thian-4-amine
CID 103901644
N-(1-methoxypropan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115664082
3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 104584522
3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 103784503
4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
CID 104860348
N-(4-methylpentyl)-3-methylsulfanylcyclohexan-1-amine
CID 102672223
2-[(3-methylsulfanylcyclohexyl)amino]-N-prop-2-enylpropanamide
CID 114123114
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122254
3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine
CID 115724680
2-methyl-1-(3-methylsulfanylcyclohexyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111997299

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine (CID 115721245) is 3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine is CSC1CCCC(NC(C)CC(F)(F)F)C1.
What is the InChIKey of 3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine?
The InChIKey is CIRSFSJNYFWNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-8(7-11(12,13)14)15-9-4-3-5-10(6-9)16-2/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine?
3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 115721245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).