5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine

C13H24F3NS — CID 105156308

IUPAC5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CC1CCSCC1
InChIInChI=1S/C13H24F3NS/c1-2-7-17-12(3-6-13(14,15)16)10-11-4-8-18-9-5-11/h11-12,17H,2-10H2,1H3
InChIKeyVXVSRNJKJVAPEQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.23
Rot. Bonds7

About 5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine

5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine (PubChem CID 105156308) has the molecular formula C13H24F3NS and a molecular weight of 283.40 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine
PubChem CID105156308
Molecular FormulaC13H24F3NS
Molecular Weight283.40 g/mol
Exact Mass283.16
IUPAC Name5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CC1CCSCC1
InChIInChI=1S/C13H24F3NS/c1-2-7-17-12(3-6-13(14,15)16)10-11-4-8-18-9-5-11/h11-12,17H,2-10H2,1H3
InChIKeyVXVSRNJKJVAPEQ-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine (CID 105156308) is 5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine is CCCNC(CCC(F)(F)F)CC1CCSCC1.
What is the InChIKey of 5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine?
The InChIKey is VXVSRNJKJVAPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NS/c1-2-7-17-12(3-6-13(14,15)16)10-11-4-8-18-9-5-11/h11-12,17H,2-10H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine?
5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine has a molecular weight of 283.40 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine is sourced from PubChem (CID 105156308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).