[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine

C11H22N2OS — CID 62390239

IUPAC[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CN2CCSCC2)CCOCC1
InChIInChI=1S/C11H22N2OS/c12-9-11(1-5-14-6-2-11)10-13-3-7-15-8-4-13/h1-10,12H2
InChIKeyJBZMDZIGCDSECA-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.79
Rot. Bonds3

About [4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine

[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine (PubChem CID 62390239) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is [4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine
PubChem CID62390239
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CN2CCSCC2)CCOCC1
InChIInChI=1S/C11H22N2OS/c12-9-11(1-5-14-6-2-11)10-13-3-7-15-8-4-13/h1-10,12H2
InChIKeyJBZMDZIGCDSECA-UHFFFAOYSA-N
XLogP0.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(thiomorpholin-4-ylmethyl)oxan-4-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 [4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine (CID 62390239) is [4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine is NCC1(CN2CCSCC2)CCOCC1.
What is the InChIKey of [4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine?
The InChIKey is JBZMDZIGCDSECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c12-9-11(1-5-14-6-2-11)10-13-3-7-15-8-4-13/h1-10,12H2.
What are the key properties of [4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine?
[4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine has a molecular weight of 230.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiomorpholin-4-ylmethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 62390239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).