3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine

C8H15F3N2OS — CID 103366228

IUPAC3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine
SMILESNCC(CN1CCS(=O)CC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2OS/c9-8(10,11)7(5-12)6-13-1-3-15(14)4-2-13/h7H,1-6,12H2
InChIKeySPSBLOHAKZEATL-UHFFFAOYSA-N
MW244.28 g/mol
LogP0.19
Rot. Bonds3

About 3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine

3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine (PubChem CID 103366228) has the molecular formula C8H15F3N2OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine
PubChem CID103366228
Molecular FormulaC8H15F3N2OS
Molecular Weight244.28 g/mol
Exact Mass244.09
IUPAC Name3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine
SMILESNCC(CN1CCS(=O)CC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2OS/c9-8(10,11)7(5-12)6-13-1-3-15(14)4-2-13/h7H,1-6,12H2
InChIKeySPSBLOHAKZEATL-UHFFFAOYSA-N
XLogP0.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine (CID 103366228) is 3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine is NCC(CN1CCS(=O)CC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine?
The InChIKey is SPSBLOHAKZEATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2OS/c9-8(10,11)7(5-12)6-13-1-3-15(14)4-2-13/h7H,1-6,12H2.
What are the key properties of 3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine?
3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine has a molecular weight of 244.28 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 103366228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).