2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane

C10H20N2S — CID 145369418

IUPAC2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane
SMILESSN1CCCCC2CCNCCC21
InChIInChI=1S/C10H20N2S/c13-12-8-2-1-3-9-4-6-11-7-5-10(9)12/h9-11,13H,1-8H2
InChIKeyBYQTZZYGUWEEMB-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.69
Rot. Bonds

About 2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane

2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane (PubChem CID 145369418) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane.

Molecular Properties

Compound Name2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane
PubChem CID145369418
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane
SMILESSN1CCCCC2CCNCCC21
InChIInChI=1S/C10H20N2S/c13-12-8-2-1-3-9-4-6-11-7-5-10(9)12/h9-11,13H,1-8H2
InChIKeyBYQTZZYGUWEEMB-UHFFFAOYSA-N
XLogP1.69
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane?
The IUPAC name of 2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane (CID 145369418) is 2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane.
What is the SMILES notation for 2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane?
The canonical SMILES for 2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane is SN1CCCCC2CCNCCC21.
What is the InChIKey of 2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane?
The InChIKey is BYQTZZYGUWEEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c13-12-8-2-1-3-9-4-6-11-7-5-10(9)12/h9-11,13H,1-8H2.
What are the key properties of 2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane?
2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane has a molecular weight of 200.35 g/mol, XLogP of 1.69, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-2,10-diazabicyclo[5.5.0]dodecane is sourced from PubChem (CID 145369418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).