N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine

C12H24N2O2S — CID 55242821

IUPACN-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine
SMILESCNCC1(CN2CCS(=O)CC2)CCCOC1
InChIInChI=1S/C12H24N2O2S/c1-13-9-12(3-2-6-16-11-12)10-14-4-7-17(15)8-5-14/h13H,2-11H2,1H3
InChIKeyBDDJQVKAPNTXDI-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.07
Rot. Bonds4

About N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine

N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine (PubChem CID 55242821) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine
PubChem CID55242821
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine
SMILESCNCC1(CN2CCS(=O)CC2)CCCOC1
InChIInChI=1S/C12H24N2O2S/c1-13-9-12(3-2-6-16-11-12)10-14-4-7-17(15)8-5-14/h13H,2-11H2,1H3
InChIKeyBDDJQVKAPNTXDI-UHFFFAOYSA-N
XLogP0.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine (CID 55242821) is N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine is CNCC1(CN2CCS(=O)CC2)CCCOC1.
What is the InChIKey of N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine?
The InChIKey is BDDJQVKAPNTXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-13-9-12(3-2-6-16-11-12)10-14-4-7-17(15)8-5-14/h13H,2-11H2,1H3.
What are the key properties of N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine?
N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine has a molecular weight of 260.40 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-3-yl]methanamine is sourced from PubChem (CID 55242821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).