N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine

C13H26N2O3S — CID 55243985

IUPACN-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCS(=O)(=O)CC2)CCCOC1
InChIInChI=1S/C13H26N2O3S/c1-2-14-10-13(4-3-7-18-12-13)11-15-5-8-19(16,17)9-6-15/h14H,2-12H2,1H3
InChIKeyGEWNVHIQNLXLGJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.12
Rot. Bonds5

About N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine

N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine (PubChem CID 55243985) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine
PubChem CID55243985
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCS(=O)(=O)CC2)CCCOC1
InChIInChI=1S/C13H26N2O3S/c1-2-14-10-13(4-3-7-18-12-13)11-15-5-8-19(16,17)9-6-15/h14H,2-12H2,1H3
InChIKeyGEWNVHIQNLXLGJ-UHFFFAOYSA-N
XLogP0.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine (CID 55243985) is N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine is CCNCC1(CN2CCS(=O)(=O)CC2)CCCOC1.
What is the InChIKey of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine?
The InChIKey is GEWNVHIQNLXLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-2-14-10-13(4-3-7-18-12-13)11-15-5-8-19(16,17)9-6-15/h14H,2-12H2,1H3.
What are the key properties of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine?
N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 55243985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).