N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine

C14H28N2O2S — CID 62390977

IUPACN-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCS(=O)CC2)CCOCC1
InChIInChI=1S/C14H28N2O2S/c1-13(2)15-11-14(3-7-18-8-4-14)12-16-5-9-19(17)10-6-16/h13,15H,3-12H2,1-2H3
InChIKeyWVEIXNLJYUHZTQ-UHFFFAOYSA-N
MW288.46 g/mol
LogP0.85
Rot. Bonds5

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

N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 62390977) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID62390977
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCS(=O)CC2)CCOCC1
InChIInChI=1S/C14H28N2O2S/c1-13(2)15-11-14(3-7-18-8-4-14)12-16-5-9-19(17)10-6-16/h13,15H,3-12H2,1-2H3
InChIKeyWVEIXNLJYUHZTQ-UHFFFAOYSA-N
XLogP0.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine (CID 62390977) is N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine is CC(C)NCC1(CN2CCS(=O)CC2)CCOCC1.
What is the InChIKey of N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is WVEIXNLJYUHZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-13(2)15-11-14(3-7-18-8-4-14)12-16-5-9-19(17)10-6-16/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62390977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).