2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine

C8H15F3N2O2S — CID 103366164

IUPAC2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(CN1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)7(5-12)6-13-1-3-16(14,15)4-2-13/h7H,1-6,12H2
InChIKeyBBOFBYOWUSGXOC-UHFFFAOYSA-N
MW260.28 g/mol
LogP-0.15
Rot. Bonds3

About 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366164) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366164
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(CN1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)7(5-12)6-13-1-3-16(14,15)4-2-13/h7H,1-6,12H2
InChIKeyBBOFBYOWUSGXOC-UHFFFAOYSA-N
XLogP-0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366164) is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine is NCC(CN1CCS(=O)(=O)CC1)C(F)(F)F.
What is the InChIKey of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is BBOFBYOWUSGXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)7(5-12)6-13-1-3-16(14,15)4-2-13/h7H,1-6,12H2.
What are the key properties of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 260.28 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).