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

C10H20N2S2 — CID 20509053

IUPACN,N'-bis(thiolan-3-yl)ethane-1,2-diamine
SMILESC(CNC1CCSC1)NC1CCSC1
InChIInChI=1S/C10H20N2S2/c1-5-13-7-9(1)11-3-4-12-10-2-6-14-8-10/h9-12H,1-8H2
InChIKeyVGWSREPPYOZWEX-UHFFFAOYSA-N
MW232.42 g/mol
LogP1.18
Rot. Bonds5

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

N,N'-bis(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 20509053) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is N,N'-bis(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(thiolan-3-yl)ethane-1,2-diamine
PubChem CID20509053
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC NameN,N'-bis(thiolan-3-yl)ethane-1,2-diamine
SMILESC(CNC1CCSC1)NC1CCSC1
InChIInChI=1S/C10H20N2S2/c1-5-13-7-9(1)11-3-4-12-10-2-6-14-8-10/h9-12H,1-8H2
InChIKeyVGWSREPPYOZWEX-UHFFFAOYSA-N
XLogP1.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 51.18
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,N'-bis(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(thiolan-3-yl)ethane-1,2-diamine (CID 20509053) is N,N'-bis(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(thiolan-3-yl)ethane-1,2-diamine is C(CNC1CCSC1)NC1CCSC1.
What is the InChIKey of N,N'-bis(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is VGWSREPPYOZWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-5-13-7-9(1)11-3-4-12-10-2-6-14-8-10/h9-12H,1-8H2.
What are the key properties of N,N'-bis(thiolan-3-yl)ethane-1,2-diamine?
N,N'-bis(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 232.42 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 20509053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).