N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

C9H14F3NS — CID 106210917

IUPACN-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCC2CCSC2)CC1
InChIInChI=1S/C9H14F3NS/c10-9(11,12)8(2-3-8)13-5-7-1-4-14-6-7/h7,13H,1-6H2
InChIKeyGPJNWKZMOLDZIQ-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.42
Rot. Bonds3

About N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210917) has the molecular formula C9H14F3NS and a molecular weight of 225.28 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210917
Molecular FormulaC9H14F3NS
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC NameN-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCC2CCSC2)CC1
InChIInChI=1S/C9H14F3NS/c10-9(11,12)8(2-3-8)13-5-7-1-4-14-6-7/h7,13H,1-6H2
InChIKeyGPJNWKZMOLDZIQ-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(thiolan-3-ylmethyl)ethanamine
CID 64166226
3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 65378023
N-(4,4,4-trifluorobutyl)thiolan-3-amine
CID 81343828
5-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
CID 106209942
N-(3-methylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106209992
2-methyl-N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
CID 106210204
N-[1-(trifluoromethyl)cyclopropyl]thiolan-3-amine
CID 106210216
N-(4-methylsulfanylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210589
N-(3-ethylsulfanylpropyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106211070
N-(2-ethylsulfanylethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212198
3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107132081
4,4,4-trifluoro-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107132322

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210917) is N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCC2CCSC2)CC1.
What is the InChIKey of N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is GPJNWKZMOLDZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NS/c10-9(11,12)8(2-3-8)13-5-7-1-4-14-6-7/h7,13H,1-6H2.
What are the key properties of N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(thiolan-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 2.42, 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)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).