N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine

C12H20F3NS — CID 107131689

IUPACN-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCC1CCSC1
InChIInChI=1S/C12H20F3NS/c13-12(14,15)10-3-1-2-4-11(10)16-7-9-5-6-17-8-9/h9-11,16H,1-8H2
InChIKeyDCZNVERFXUBGBX-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.45
Rot. Bonds3

About N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 107131689) has the molecular formula C12H20F3NS and a molecular weight of 267.36 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID107131689
Molecular FormulaC12H20F3NS
Molecular Weight267.36 g/mol
Exact Mass267.13
IUPAC NameN-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCC1CCSC1
InChIInChI=1S/C12H20F3NS/c13-12(14,15)10-3-1-2-4-11(10)16-7-9-5-6-17-8-9/h9-11,16H,1-8H2
InChIKeyDCZNVERFXUBGBX-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107132036
2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
CID 107295198
3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 106124528
N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 55243385
[2-(thiolan-3-ylmethylamino)cyclopentyl]methanol
CID 107166450
N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434513
2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759490
N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 115406111
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
2-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64756873
2-ethyl-N-(thiolan-3-ylmethyl)cyclopropan-1-amine
CID 107166344
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 107131689) is N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCCC1NCC1CCSC1.
What is the InChIKey of N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DCZNVERFXUBGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NS/c13-12(14,15)10-3-1-2-4-11(10)16-7-9-5-6-17-8-9/h9-11,16H,1-8H2.
What are the key properties of N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 107131689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).