[2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine

C11H21NOS — CID 83173845

IUPAC[2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine
SMILESNCC1(CC2CCOCC2)CCCS1
InChIInChI=1S/C11H21NOS/c12-9-11(4-1-7-14-11)8-10-2-5-13-6-3-10/h10H,1-9,12H2
InChIKeyPEGFMKABZSYVSA-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.03
Rot. Bonds3

About [2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine

[2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine (PubChem CID 83173845) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is [2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine
PubChem CID83173845
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name[2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine
SMILESNCC1(CC2CCOCC2)CCCS1
InChIInChI=1S/C11H21NOS/c12-9-11(4-1-7-14-11)8-10-2-5-13-6-3-10/h10H,1-9,12H2
InChIKeyPEGFMKABZSYVSA-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(oxan-4-ylmethyl)thiolan-2-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 [2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine?
The IUPAC name of [2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine (CID 83173845) is [2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine.
What is the SMILES notation for [2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine?
The canonical SMILES for [2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine is NCC1(CC2CCOCC2)CCCS1.
What is the InChIKey of [2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine?
The InChIKey is PEGFMKABZSYVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c12-9-11(4-1-7-14-11)8-10-2-5-13-6-3-10/h10H,1-9,12H2.
What are the key properties of [2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine?
[2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine has a molecular weight of 215.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylmethyl)thiolan-2-yl]methanamine is sourced from PubChem (CID 83173845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).