2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine

C8H15NOS2 — CID 170279774

IUPAC2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine
SMILESC(COCC1CS1)NCC1CS1
InChIInChI=1S/C8H15NOS2/c1(9-3-7-5-11-7)2-10-4-8-6-12-8/h7-9H,1-6H2
InChIKeyCUACTZVCALBGKX-UHFFFAOYSA-N
MW205.35 g/mol
LogP0.82
Rot. Bonds7

About 2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine

2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine (PubChem CID 170279774) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine
PubChem CID170279774
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC Name2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine
SMILESC(COCC1CS1)NCC1CS1
InChIInChI=1S/C8H15NOS2/c1(9-3-7-5-11-7)2-10-4-8-6-12-8/h7-9H,1-6H2
InChIKeyCUACTZVCALBGKX-UHFFFAOYSA-N
XLogP0.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine
CID 62599762
2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 115868513
2-(3-methylbutoxy)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585393
2-[[5-(thiiran-2-ylmethoxymethyl)-1,4-diselenan-2-yl]methoxymethyl]thiirane
CID 18410121
2-[[5-(thiiran-2-ylmethoxymethyl)-1,4-ditelluran-2-yl]methoxymethyl]thiirane
CID 18410094
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine
CID 62584968
2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine
CID 112589289
N-[[butyl-[2-(thiiran-2-ylmethoxy)ethyl]amino]disulfanyl]-N-[2-(thiiran-2-ylmethoxy)ethyl]butan-1-amine
CID 170107968
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132493
2-(cyclobutylmethoxy)-N-ethylethanamine
CID 65457853

Frequently Asked Questions

What is the IUPAC name of 2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine?
The IUPAC name of 2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine (CID 170279774) is 2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine is C(COCC1CS1)NCC1CS1.
What is the InChIKey of 2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine?
The InChIKey is CUACTZVCALBGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c1(9-3-7-5-11-7)2-10-4-8-6-12-8/h7-9H,1-6H2.
What are the key properties of 2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine?
2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine has a molecular weight of 205.35 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiiran-2-ylmethoxy)-N-(thiiran-2-ylmethyl)ethanamine is sourced from PubChem (CID 170279774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).