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

C14H28N2O2S — CID 55066713

IUPACN-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCS(=O)CC2)CCOCC1
InChIInChI=1S/C14H28N2O2S/c1-2-5-15-12-14(3-8-18-9-4-14)13-16-6-10-19(17)11-7-16/h15H,2-13H2,1H3
InChIKeyMMNSCAFULHXTSV-UHFFFAOYSA-N
MW288.46 g/mol
LogP0.85
Rot. Bonds6

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

N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 55066713) 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-1-amine.

Molecular Properties

Compound NameN-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID55066713
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-1-amine
SMILESCCCNCC1(CN2CCS(=O)CC2)CCOCC1
InChIInChI=1S/C14H28N2O2S/c1-2-5-15-12-14(3-8-18-9-4-14)13-16-6-10-19(17)11-7-16/h15H,2-13H2,1H3
InChIKeyMMNSCAFULHXTSV-UHFFFAOYSA-N
XLogP0.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-1-amine?
The IUPAC name of N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine (CID 55066713) is N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CN2CCS(=O)CC2)CCOCC1.
What is the InChIKey of N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is MMNSCAFULHXTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-2-5-15-12-14(3-8-18-9-4-14)13-16-6-10-19(17)11-7-16/h15H,2-13H2,1H3.
What are the key properties of N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine?
N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 0.85, 6 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-1-amine is sourced from PubChem (CID 55066713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).