N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine

C14H28N2OS — CID 55066378

IUPACN-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCSCC2)CCOCC1
InChIInChI=1S/C14H28N2OS/c1-2-5-15-12-14(3-8-17-9-4-14)13-16-6-10-18-11-7-16/h15H,2-13H2,1H3
InChIKeyXZCAPLNXZPPFGC-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.83
Rot. Bonds6

About N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine

N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine (PubChem CID 55066378) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
PubChem CID55066378
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCSCC2)CCOCC1
InChIInChI=1S/C14H28N2OS/c1-2-5-15-12-14(3-8-17-9-4-14)13-16-6-10-18-11-7-16/h15H,2-13H2,1H3
InChIKeyXZCAPLNXZPPFGC-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-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-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine (CID 55066378) is N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CN2CCSCC2)CCOCC1.
What is the InChIKey of N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
The InChIKey is XZCAPLNXZPPFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-2-5-15-12-14(3-8-17-9-4-14)13-16-6-10-18-11-7-16/h15H,2-13H2,1H3.
What are the key properties of N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine has a molecular weight of 272.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 55066378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).