N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine

C13H26N2O2S — CID 62259737

IUPACN-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCS(=O)CC2)CCOC1
InChIInChI=1S/C13H26N2O2S/c1-2-4-14-10-13(3-7-17-12-13)11-15-5-8-18(16)9-6-15/h14H,2-12H2,1H3
InChIKeyWDBLSOZVADJFSJ-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.46
Rot. Bonds6

About N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine

N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62259737) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID62259737
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCS(=O)CC2)CCOC1
InChIInChI=1S/C13H26N2O2S/c1-2-4-14-10-13(3-7-17-12-13)11-15-5-8-18(16)9-6-15/h14H,2-12H2,1H3
InChIKeyWDBLSOZVADJFSJ-UHFFFAOYSA-N
XLogP0.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

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

Analyze N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine 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-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine (CID 62259737) is N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CN2CCS(=O)CC2)CCOC1.
What is the InChIKey of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is WDBLSOZVADJFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-4-14-10-13(3-7-17-12-13)11-15-5-8-18(16)9-6-15/h14H,2-12H2,1H3.
What are the key properties of N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62259737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).