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

C12H20F3NS — CID 102671518

IUPAC2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
SMILESCC1SCCC1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3NS/c1-8-10(6-7-17-8)16-11-5-3-2-4-9(11)12(13,14)15/h8-11,16H,2-7H2,1H3
InChIKeyYFIBSKQLNJNBNT-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.59
Rot. Bonds2

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

2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine (PubChem CID 102671518) has the molecular formula C12H20F3NS and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
PubChem CID102671518
Molecular FormulaC12H20F3NS
Molecular Weight267.36 g/mol
Exact Mass267.13
IUPAC Name2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
SMILESCC1SCCC1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3NS/c1-8-10(6-7-17-8)16-11-5-3-2-4-9(11)12(13,14)15/h8-11,16H,2-7H2,1H3
InChIKeyYFIBSKQLNJNBNT-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The IUPAC name of 2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine (CID 102671518) is 2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine is CC1SCCC1NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The InChIKey is YFIBSKQLNJNBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NS/c1-8-10(6-7-17-8)16-11-5-3-2-4-9(11)12(13,14)15/h8-11,16H,2-7H2,1H3.
What are the key properties of 2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
2-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 2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine is sourced from PubChem (CID 102671518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).