5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine

C12H20F3NS — CID 79942003

IUPAC5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
SMILESCC1CC(NC2CCCCC2C(F)(F)F)CS1
InChIInChI=1S/C12H20F3NS/c1-8-6-9(7-17-8)16-11-5-3-2-4-10(11)12(13,14)15/h8-11,16H,2-7H2,1H3
InChIKeyONFNZBIFSCZSJJ-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.59
Rot. Bonds2

About 5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine

5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine (PubChem CID 79942003) has the molecular formula C12H20F3NS and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
PubChem CID79942003
Molecular FormulaC12H20F3NS
Molecular Weight267.36 g/mol
Exact Mass267.13
IUPAC Name5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
SMILESCC1CC(NC2CCCCC2C(F)(F)F)CS1
InChIInChI=1S/C12H20F3NS/c1-8-6-9(7-17-8)16-11-5-3-2-4-10(11)12(13,14)15/h8-11,16H,2-7H2,1H3
InChIKeyONFNZBIFSCZSJJ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 140640625
(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
2,4-Dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine
CID 143806352
3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
4-[Cyclopropyl(difluoro)methyl]-2,4,5-trimethyl-1,3-thiazolidine
CID 164038147
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-[3-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434425
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434513
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434641
N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43730379

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The IUPAC name of 5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine (CID 79942003) is 5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The canonical SMILES for 5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine is CC1CC(NC2CCCCC2C(F)(F)F)CS1.
What is the InChIKey of 5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The InChIKey is ONFNZBIFSCZSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NS/c1-8-6-9(7-17-8)16-11-5-3-2-4-10(11)12(13,14)15/h8-11,16H,2-7H2,1H3.
What are the key properties of 5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine has a molecular weight of 267.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine is sourced from PubChem (CID 79942003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).