2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C9H17F3N2OS — CID 62569980

IUPAC2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCS(=O)CC1
InChIInChI=1S/C9H17F3N2OS/c1-8(6-13-7-9(10,11)12)14-2-4-16(15)5-3-14/h8,13H,2-7H2,1H3
InChIKeySVJDOBWMZBQHDM-UHFFFAOYSA-N
MW258.31 g/mol
LogP0.59
Rot. Bonds4

About 2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62569980) has the molecular formula C9H17F3N2OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62569980
Molecular FormulaC9H17F3N2OS
Molecular Weight258.31 g/mol
Exact Mass258.10
IUPAC Name2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCS(=O)CC1
InChIInChI=1S/C9H17F3N2OS/c1-8(6-13-7-9(10,11)12)14-2-4-16(15)5-3-14/h8,13H,2-7H2,1H3
InChIKeySVJDOBWMZBQHDM-UHFFFAOYSA-N
XLogP0.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62569980) is 2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)N1CCS(=O)CC1.
What is the InChIKey of 2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is SVJDOBWMZBQHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2OS/c1-8(6-13-7-9(10,11)12)14-2-4-16(15)5-3-14/h8,13H,2-7H2,1H3.
What are the key properties of 2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 258.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62569980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).