3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride

C5H10ClNO2S — CID 170907548

IUPAC3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride
SMILESCl.O=S1(=O)CC2CC(C1)N2
InChIInChI=1S/C5H9NO2S.ClH/c7-9(8)2-4-1-5(3-9)6-4;/h4-6H,1-3H2;1H
InChIKeyVWBRWNUOLMAJIJ-UHFFFAOYSA-N
MW183.66 g/mol
LogP-0.43
Rot. Bonds

About 3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride

3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride (PubChem CID 170907548) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is 3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride.

Molecular Properties

Compound Name3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride
PubChem CID170907548
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Name3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride
SMILESCl.O=S1(=O)CC2CC(C1)N2
InChIInChI=1S/C5H9NO2S.ClH/c7-9(8)2-4-1-5(3-9)6-4;/h4-6H,1-3H2;1H
InChIKeyVWBRWNUOLMAJIJ-UHFFFAOYSA-N
XLogP-0.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride?
The IUPAC name of 3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride (CID 170907548) is 3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride.
What is the SMILES notation for 3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride?
The canonical SMILES for 3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride is Cl.O=S1(=O)CC2CC(C1)N2.
What is the InChIKey of 3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride?
The InChIKey is VWBRWNUOLMAJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S.ClH/c7-9(8)2-4-1-5(3-9)6-4;/h4-6H,1-3H2;1H.
What are the key properties of 3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride?
3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride has a molecular weight of 183.66 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride is sourced from PubChem (CID 170907548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).