N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine

C9H20N2OS — CID 107132714

IUPACN-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCOCCNC(CN)C1CCSC1
InChIInChI=1S/C9H20N2OS/c1-12-4-3-11-9(6-10)8-2-5-13-7-8/h8-9,11H,2-7,10H2,1H3
InChIKeyXOUYHSXQVBPXAA-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.30
Rot. Bonds6

About N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine

N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132714) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132714
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC NameN-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCOCCNC(CN)C1CCSC1
InChIInChI=1S/C9H20N2OS/c1-12-4-3-11-9(6-10)8-2-5-13-7-8/h8-9,11H,2-7,10H2,1H3
InChIKeyXOUYHSXQVBPXAA-UHFFFAOYSA-N
XLogP0.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132714) is N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine is COCCNC(CN)C1CCSC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is XOUYHSXQVBPXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-12-4-3-11-9(6-10)8-2-5-13-7-8/h8-9,11H,2-7,10H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 204.34 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).