4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C10H18F3NS — CID 116616675

IUPAC4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(N)C(CCSC(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-7-2-3-9(14)8(6-7)4-5-15-10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyYUMHCIQNOLQLKU-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.39
Rot. Bonds3

About 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 116616675) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID116616675
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(N)C(CCSC(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-7-2-3-9(14)8(6-7)4-5-15-10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyYUMHCIQNOLQLKU-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(Aminomethylsulfanyl)cyclohexyl]-4,4,4-trifluorobutan-2-amine
CID 129095722
1-[4-(Aminomethylsulfanyl)cyclohexyl]-1,1-difluoropropan-2-amine
CID 129096040
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156348
6,6,6-Trifluoro-1-(thian-4-yl)hexan-2-amine
CID 105174339
2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106426887
N-ethyl-4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544022
4-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544023
N,4-diethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544024
4-Propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544025
N-methyl-4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544026
[4-Ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 113545469
[4-Propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 113545470

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 116616675) is 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is CC1CCC(N)C(CCSC(F)(F)F)C1.
What is the InChIKey of 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is YUMHCIQNOLQLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-7-2-3-9(14)8(6-7)4-5-15-10(11,12)13/h7-9H,2-6,14H2,1H3.
What are the key properties of 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 116616675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).