3-thia-6,9-diazabicyclo[6.2.0]decane

C7H14N2S — CID 118210384

IUPAC3-thia-6,9-diazabicyclo[6.2.0]decane
SMILESC1CSCC2CNC2CN1
InChIInChI=1S/C7H14N2S/c1-2-10-5-6-3-9-7(6)4-8-1/h6-9H,1-5H2
InChIKeyAANUHMFVOOMVJA-UHFFFAOYSA-N
MW158.27 g/mol
LogP-0.09
Rot. Bonds

About 3-thia-6,9-diazabicyclo[6.2.0]decane

3-thia-6,9-diazabicyclo[6.2.0]decane (PubChem CID 118210384) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-thia-6,9-diazabicyclo[6.2.0]decane.

Molecular Properties

Compound Name3-thia-6,9-diazabicyclo[6.2.0]decane
PubChem CID118210384
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name3-thia-6,9-diazabicyclo[6.2.0]decane
SMILESC1CSCC2CNC2CN1
InChIInChI=1S/C7H14N2S/c1-2-10-5-6-3-9-7(6)4-8-1/h6-9H,1-5H2
InChIKeyAANUHMFVOOMVJA-UHFFFAOYSA-N
XLogP-0.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thia-6,9-diazabicyclo[6.2.0]decane?
The IUPAC name of 3-thia-6,9-diazabicyclo[6.2.0]decane (CID 118210384) is 3-thia-6,9-diazabicyclo[6.2.0]decane.
What is the SMILES notation for 3-thia-6,9-diazabicyclo[6.2.0]decane?
The canonical SMILES for 3-thia-6,9-diazabicyclo[6.2.0]decane is C1CSCC2CNC2CN1.
What is the InChIKey of 3-thia-6,9-diazabicyclo[6.2.0]decane?
The InChIKey is AANUHMFVOOMVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-2-10-5-6-3-9-7(6)4-8-1/h6-9H,1-5H2.
What are the key properties of 3-thia-6,9-diazabicyclo[6.2.0]decane?
3-thia-6,9-diazabicyclo[6.2.0]decane has a molecular weight of 158.27 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thia-6,9-diazabicyclo[6.2.0]decane is sourced from PubChem (CID 118210384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).