2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C12H22F3NS — CID 55111599

IUPAC2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC1CCCC(SC(C)CNCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NS/c1-9-4-3-5-11(6-9)17-10(2)7-16-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyTZVTUBFGQYADFS-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.84
Rot. Bonds5

About 2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55111599) has the molecular formula C12H22F3NS and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55111599
Molecular FormulaC12H22F3NS
Molecular Weight269.38 g/mol
Exact Mass269.14
IUPAC Name2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC1CCCC(SC(C)CNCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NS/c1-9-4-3-5-11(6-9)17-10(2)7-16-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyTZVTUBFGQYADFS-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine
CID 163788703
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62581522
2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine
CID 62720495
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfanylbutan-2-amine
CID 62720807
1,1,1-Trifluoro-2-(3-methylcyclohexyl)sulfanylpentan-3-amine
CID 62720808
3,3,3-Trifluoro-2-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62721158
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfanylbutan-1-amine
CID 62721727
2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63119998
N-(2-methylsulfanylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755686

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55111599) is 2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC1CCCC(SC(C)CNCC(F)(F)F)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is TZVTUBFGQYADFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NS/c1-9-4-3-5-11(6-9)17-10(2)7-16-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55111599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).