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

C14H24N2O2S — CID 91468266

IUPAC7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(CCCN1C2CCC1CC2)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C14H24N2O2S/c17-19(18,15-9-11-8-12(11)10-15)7-1-6-16-13-2-3-14(16)5-4-13/h11-14H,1-10H2/t11-,12+,13?,14?
InChIKeyDKGWZVOLSVVRIN-VTXSZYRJSA-N
MW284.43 g/mol
LogP1.28
Rot. Bonds5

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

7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 91468266) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane
PubChem CID91468266
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(CCCN1C2CCC1CC2)N1C[C@H]2C[C@H]2C1
InChIInChI=1S/C14H24N2O2S/c17-19(18,15-9-11-8-12(11)10-15)7-1-6-16-13-2-3-14(16)5-4-13/h11-14H,1-10H2/t11-,12+,13?,14?
InChIKeyDKGWZVOLSVVRIN-VTXSZYRJSA-N
XLogP1.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane (CID 91468266) is 7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane is O=S(=O)(CCCN1C2CCC1CC2)N1C[C@H]2C[C@H]2C1.
What is the InChIKey of 7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is DKGWZVOLSVVRIN-VTXSZYRJSA-N. The full InChI is InChI=1S/C14H24N2O2S/c17-19(18,15-9-11-8-12(11)10-15)7-1-6-16-13-2-3-14(16)5-4-13/h11-14H,1-10H2/t11-,12+,13?,14?.
What are the key properties of 7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane?
7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 284.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 91468266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).