[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine

C11H20F3N3S — CID 43173289

IUPAC[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCSC1
InChIInChI=1S/C11H20F3N3S/c12-11(13,14)8-16-2-4-17(5-3-16)10(7-15)1-6-18-9-10/h1-9,15H2
InChIKeyDOEDZVRWTCYGIG-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.00
Rot. Bonds3

About [3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine

[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine (PubChem CID 43173289) has the molecular formula C11H20F3N3S and a molecular weight of 283.36 g/mol. Its IUPAC name is [3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
PubChem CID43173289
Molecular FormulaC11H20F3N3S
Molecular Weight283.36 g/mol
Exact Mass283.13
IUPAC Name[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCSC1
InChIInChI=1S/C11H20F3N3S/c12-11(13,14)8-16-2-4-17(5-3-16)10(7-15)1-6-18-9-10/h1-9,15H2
InChIKeyDOEDZVRWTCYGIG-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine?
The IUPAC name of [3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine (CID 43173289) is [3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine.
What is the SMILES notation for [3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine?
The canonical SMILES for [3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine is NCC1(N2CCN(CC(F)(F)F)CC2)CCSC1.
What is the InChIKey of [3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine?
The InChIKey is DOEDZVRWTCYGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3S/c12-11(13,14)8-16-2-4-17(5-3-16)10(7-15)1-6-18-9-10/h1-9,15H2.
What are the key properties of [3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine?
[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine has a molecular weight of 283.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine is sourced from PubChem (CID 43173289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).