7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane

C13H22N2O2S — CID 91306565

IUPAC7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(CCN1C2CCC1CC2)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C13H22N2O2S/c16-18(17,14-8-10-7-11(10)9-14)6-5-15-12-1-2-13(15)4-3-12/h10-13H,1-9H2/t10-,11+,12?,13?
InChIKeyNURGLAPBMTZPOI-MPEURRAXSA-N
MW270.40 g/mol
LogP0.89
Rot. Bonds4

About 7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane

7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 91306565) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane
PubChem CID91306565
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(CCN1C2CCC1CC2)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C13H22N2O2S/c16-18(17,14-8-10-7-11(10)9-14)6-5-15-12-1-2-13(15)4-3-12/h10-13H,1-9H2/t10-,11+,12?,13?
InChIKeyNURGLAPBMTZPOI-MPEURRAXSA-N
XLogP0.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane (CID 91306565) is 7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane is O=S(=O)(CCN1C2CCC1CC2)N1C[C@H]2C[C@H]2C1.
What is the InChIKey of 7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is NURGLAPBMTZPOI-MPEURRAXSA-N. The full InChI is InChI=1S/C13H22N2O2S/c16-18(17,14-8-10-7-11(10)9-14)6-5-15-12-1-2-13(15)4-3-12/h10-13H,1-9H2/t10-,11+,12?,13?.
What are the key properties of 7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane?
7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 270.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]ethyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 91306565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).