1-(trifluoromethylsulfanyl)pentan-3-amine

C6H12F3NS — CID 116627767

IUPAC1-(trifluoromethylsulfanyl)pentan-3-amine
SMILESCCC(N)CCSC(F)(F)F
InChIInChI=1S/C6H12F3NS/c1-2-5(10)3-4-11-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyDTKBEFVLCWANBQ-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.37
Rot. Bonds4

About 1-(trifluoromethylsulfanyl)pentan-3-amine

1-(trifluoromethylsulfanyl)pentan-3-amine (PubChem CID 116627767) has the molecular formula C6H12F3NS and a molecular weight of 187.23 g/mol. Its IUPAC name is 1-(trifluoromethylsulfanyl)pentan-3-amine.

Molecular Properties

Compound Name1-(trifluoromethylsulfanyl)pentan-3-amine
PubChem CID116627767
Molecular FormulaC6H12F3NS
Molecular Weight187.23 g/mol
Exact Mass187.06
IUPAC Name1-(trifluoromethylsulfanyl)pentan-3-amine
SMILESCCC(N)CCSC(F)(F)F
InChIInChI=1S/C6H12F3NS/c1-2-5(10)3-4-11-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyDTKBEFVLCWANBQ-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-1-(trifluoromethylsulfanyl)pentane
CID 116627937
(3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one
CID 143500605
4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol
CID 116617352
6-(trifluoromethylsulfanyl)hexan-2-amine
CID 116627201
methyl 2-amino-4-(trifluoromethylsulfanyl)butanoate
CID 11127699
1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine
CID 116627770
tetradecane-3,6,9,12-tetramine
CID 140993886
1,2-bis(trifluoromethylsulfanyl)ethane
CID 154097976
1-(2-fluorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine
CID 116627776
3-(bromomethyl)-1-(trifluoromethylsulfanyl)hexane
CID 116627967
4-chloro-3-methyl-1-(trifluoromethylsulfanyl)pentane
CID 116617366
N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine
CID 115710768

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfanyl)pentan-3-amine?
The IUPAC name of 1-(trifluoromethylsulfanyl)pentan-3-amine (CID 116627767) is 1-(trifluoromethylsulfanyl)pentan-3-amine.
What is the SMILES notation for 1-(trifluoromethylsulfanyl)pentan-3-amine?
The canonical SMILES for 1-(trifluoromethylsulfanyl)pentan-3-amine is CCC(N)CCSC(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfanyl)pentan-3-amine?
The InChIKey is DTKBEFVLCWANBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NS/c1-2-5(10)3-4-11-6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 1-(trifluoromethylsulfanyl)pentan-3-amine?
1-(trifluoromethylsulfanyl)pentan-3-amine has a molecular weight of 187.23 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfanyl)pentan-3-amine is sourced from PubChem (CID 116627767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).