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

C13H26N2O2S — CID 62390804

IUPACN-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCS(=O)CC2)CCOCC1
InChIInChI=1S/C13H26N2O2S/c1-2-14-11-13(3-7-17-8-4-13)12-15-5-9-18(16)10-6-15/h14H,2-12H2,1H3
InChIKeyWQLBSIZOZROHCA-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.46
Rot. Bonds5

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

N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 62390804) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine
PubChem CID62390804
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCS(=O)CC2)CCOCC1
InChIInChI=1S/C13H26N2O2S/c1-2-14-11-13(3-7-17-8-4-13)12-15-5-9-18(16)10-6-15/h14H,2-12H2,1H3
InChIKeyWQLBSIZOZROHCA-UHFFFAOYSA-N
XLogP0.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.46
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]ethanamine?
The IUPAC name of N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine (CID 62390804) is N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(CN2CCS(=O)CC2)CCOCC1.
What is the InChIKey of N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is WQLBSIZOZROHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-14-11-13(3-7-17-8-4-13)12-15-5-9-18(16)10-6-15/h14H,2-12H2,1H3.
What are the key properties of N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 274.43 g/mol, XLogP of 0.46, 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]ethanamine is sourced from PubChem (CID 62390804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).